CAS RN: 859850-87-6
CAS Name: 1-[(3-iodophenyl)methyl]piperidine
OPENEYE Name: 1-[(3-iodophenyl)methyl]piperidine
IUPAC Name: 1-[(3-iodophenyl)methyl]piperidine
SYSTEMATIC NAME: 1-[(3-iodanylphenyl)methyl]piperidine
MOLECULAR FORMULA: C12H16IN
MOLECULAR WEIGHT: 301.16661
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)I
Structure:
CAS RN: 859850-89-8
CAS Name: 1-[(3-iodophenyl)methyl]-4-methylpiperazine
OPENEYE Name: 1-[(3-iodophenyl)methyl]-4-methyl-piperazine
IUPAC Name: 1-[(3-iodophenyl)methyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[(3-iodanylphenyl)methyl]-4-methyl-piperazine
MOLECULAR FORMULA: C12H17IN2
MOLECULAR WEIGHT: 316.18125
SMILES: CN1CCN(CC1)CC2=CC(=CC=C2)I
Structure:
CAS RN: 67853-37-6
CAS Name: 2-bromo-1-methoxy-3-nitrobenzene
OPENEYE Name: 2-bromo-1-methoxy-3-nitro-benzene
IUPAC Name: 2-bromo-1-methoxy-3-nitrobenzene
SYSTEMATIC NAME: 2-bromanyl-1-methoxy-3-nitro-benzene
MOLECULAR FORMULA: C7H6BrNO3
MOLECULAR WEIGHT: 232.03144
SMILES: COC1=CC=CC(=C1Br)[N+](=O)[O-]
Structure:
CAS RN: 52978-23-1
CAS Name: 3-mercaptopropanoic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl 3-sulfanylpropanoate
IUPAC Name: 2-hydroxyethyl 3-sulfanylpropanoate
SYSTEMATIC NAME: 2-hydroxyethyl 3-sulfanylpropanoate
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: C(CS)C(=O)OCCO
Structure:
CAS RN: 1540-32-5
CAS Name: 2-cyclopentyl-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 2-cyclopentyl-3-oxo-butanoate
IUPAC Name: ethyl 2-cyclopentyl-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-cyclopentyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCOC(=O)C(C1CCCC1)C(=O)C
Structure:
CAS RN: 2481-09-6
CAS Name: (2R)-2-amino-3-(tert-butylthio)propanoic acid hydrochloride
OPENEYE Name: (2R)-2-amino-3-tert-butylsulfanyl-propanoic acid hydrochloride
IUPAC Name: (2R)-2-amino-3-tert-butylsulfanylpropanoic acid hydrochloride
SYSTEMATIC NAME: (2R)-2-azanyl-3-tert-butylsulfanyl-propanoic acid hydrochloride
MOLECULAR FORMULA: C7H16ClNO2S
MOLECULAR WEIGHT: 213.72544
SMILES: CC(C)(C)SC[C@@H](C(=O)O)N.Cl
Structure:
CAS RN: 33478-30-7
CAS Name: hexanedioic acid bis(cyclohexylmethyl) ester
OPENEYE Name: bis(cyclohexylmethyl) hexanedioate
IUPAC Name: bis(cyclohexylmethyl) hexanedioate
SYSTEMATIC NAME: bis(cyclohexylmethyl) hexanedioate
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: C1CCC(CC1)COC(=O)CCCCC(=O)OCC2CCCCC2
Structure:
CAS RN: 3375-84-6
CAS Name: 3-(2-hydroxypropyl)-4-methyl-2-oxazolidinone
OPENEYE Name: 3-(2-hydroxypropyl)-4-methyl-oxazolidin-2-one
IUPAC Name: 3-(2-hydroxypropyl)-4-methyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4-methyl-3-(2-oxidanylpropyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: CC1COC(=O)N1CC(C)O
Structure:
CAS RN: 20514-41-4
CAS Name: (2E,4E)-2,6-dimethylhepta-2,4-dienedioic acid
OPENEYE Name: (2E,4E)-2,6-dimethylhepta-2,4-dienedioic acid
IUPAC Name: (2E,4E)-2,6-dimethylhepta-2,4-dienedioic acid
SYSTEMATIC NAME: (2E,4E)-2,6-dimethylhepta-2,4-dienedioic acid
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CC(/C=C/C=C(\C)/C(=O)O)C(=O)O
Structure:
CAS RN: 89851-99-0
CAS Name: N,1-dimethyl-5-oxo-3-pyrrolidinecarboxamide
OPENEYE Name: N,1-dimethyl-5-oxo-pyrrolidine-3-carboxamide
IUPAC Name: N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: N,1-dimethyl-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CNC(=O)C1CC(=O)N(C1)C
Structure:
CAS RN: 56048-53-4
CAS Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-methylcyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H11NOS
MOLECULAR WEIGHT: 241.30824
SMILES: CC1=CC=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O
Structure:
CAS RN: 24516-39-0
CAS Name: (E)-13-docosenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-docos-13-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-docos-13-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-docos-13-enoate
MOLECULAR FORMULA: C49H86O2
MOLECULAR WEIGHT: 707.20594
SMILES: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 93733-59-6
CAS Name: 2-hydroxy-N'-[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-phenylacetohydrazide
OPENEYE Name: 2-hydroxy-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-acetohydrazide
IUPAC Name: 2-hydroxy-N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenylacetohydrazide
SYSTEMATIC NAME: 2-oxidanyl-N'-[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-ethanehydrazide
MOLECULAR FORMULA: C15H14N2O3
MOLECULAR WEIGHT: 270.28326
SMILES: C1=CC=C(C=C1)C(C(=O)NN/C=C\2/C=CC=CC2=O)O
Structure:
CAS RN: 52604-91-8
CAS Name: 5-anilino-2-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid hydrate
OPENEYE Name: 5-anilino-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid hydrate
IUPAC Name: 5-anilino-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid hydrate
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylazanyl-pentanoic acid hydrate
MOLECULAR FORMULA: C19H18N2O6
MOLECULAR WEIGHT: 370.35602
SMILES: C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O.O
Structure:
CAS RN: 64341-49-7
CAS Name: 5-bromo-1-penten-3-ol
OPENEYE Name: 5-bromopent-1-en-3-ol
IUPAC Name: 5-bromopent-1-en-3-ol
SYSTEMATIC NAME: 5-bromanylpent-1-en-3-ol
MOLECULAR FORMULA: C5H9BrO
MOLECULAR WEIGHT: 165.02836
SMILES: C=CC(CCBr)O
Structure:
CAS RN: 190788-58-0
CAS Name: 4,4,5,5-tetramethyl-2-[4-(methylthio)phenyl]-1,3,2-dioxaborolane
OPENEYE Name: 4,4,5,5-tetramethyl-2-(4-methylsulfanylphenyl)-1,3,2-dioxaborolane
IUPAC Name: 4,4,5,5-tetramethyl-2-(4-methylsulfanylphenyl)-1,3,2-dioxaborolane
SYSTEMATIC NAME: 4,4,5,5-tetramethyl-2-(4-methylsulfanylphenyl)-1,3,2-dioxaborolane
MOLECULAR FORMULA: C13H19BO2S
MOLECULAR WEIGHT: 250.16476
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)SC
Structure:
CAS RN: 190788-62-6
CAS Name: 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
OPENEYE Name: 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
IUPAC Name: 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SYSTEMATIC NAME: 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
MOLECULAR FORMULA: C15H18BNO2
MOLECULAR WEIGHT: 255.11992
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CC=N3
Structure:
CAS RN: 763120-58-7
CAS Name: 1H-pyrazol-4-ylboronic acid
OPENEYE Name: 1H-pyrazol-4-ylboronic acid
IUPAC Name: 1H-pyrazol-4-ylboronic acid
SYSTEMATIC NAME: 1H-pyrazol-4-ylboronic acid
MOLECULAR FORMULA: C3H5BN2O2
MOLECULAR WEIGHT: 111.895
SMILES: B(C1=CNN=C1)(O)O
Structure:
CAS RN: 874290-99-0
CAS Name: 1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
OPENEYE Name: 1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
IUPAC Name: 1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
SYSTEMATIC NAME: 1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
MOLECULAR FORMULA: C14H21BN2O3
MOLECULAR WEIGHT: 276.13914
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NC
Structure:
CAS RN: 214360-57-3
CAS Name: N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
OPENEYE Name: N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC Name: N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SYSTEMATIC NAME: N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
MOLECULAR FORMULA: C14H20BNO3
MOLECULAR WEIGHT: 261.1245
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC
Structure:
CAS RN: 60462-19-3
CAS Name: 4-(hydroxymethyl)-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(hydroxymethyl)cubane-1-carboxylate
IUPAC Name: methyl 4-(hydroxymethyl)cubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-(hydroxymethyl)cubane-1-carboxylate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC(=O)C12C3C4C1C5C2C3C45CO
Structure:
CAS RN: 225115-48-0
CAS Name: 4-acetyloxy-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-acetoxycubane-1-carboxylate
IUPAC Name: methyl 4-acetyloxycubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-acetyloxycubane-1-carboxylate
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: CC(=O)OC12C3C4C1C5C2C3C45C(=O)OC
Structure:
CAS RN: 883554-73-2
CAS Name: 4-[4-morpholinyl(oxo)methyl]-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(morpholine-4-carbonyl)cubane-1-carboxylate
IUPAC Name: methyl 4-(morpholine-4-carbonyl)cubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-morpholin-4-ylcarbonylcubane-1-carboxylate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: COC(=O)C12C3C4C1C5C2C3C45C(=O)N6CCOCC6
Structure:
CAS RN: 152191-45-2
CAS Name: 4-[(4-methyl-1-piperazinyl)-oxomethyl]-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(4-methylpiperazine-1-carbonyl)cubane-1-carboxylate
IUPAC Name: methyl 4-(4-methylpiperazine-1-carbonyl)cubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-(4-methylpiperazin-1-yl)carbonylcubane-1-carboxylate
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CN1CCN(CC1)C(=O)C23C4C5C2C6C3C4C56C(=O)OC
Structure:
CAS RN: 883554-72-1
CAS Name: 4-[(cyclopropylamino)-oxomethyl]-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(cyclopropylcarbamoyl)cubane-1-carboxylate
IUPAC Name: methyl 4-(cyclopropylcarbamoyl)cubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-(cyclopropylcarbamoyl)cubane-1-carboxylate
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: COC(=O)C12C3C4C1C5C2C3C45C(=O)NC6CC6
Structure:
CAS RN: 883554-71-0
CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(tert-butoxycarbonylamino)cubane-1-carboxylate
IUPAC Name: methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cubane-1-carboxylate
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CC(C)(C)OC(=O)NC12C3C4C1C5C2C3C45C(=O)OC
Structure:
CAS RN: 554411-20-0
CAS Name: 2-(4-methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-(4-methoxy-3-nitro-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-(4-methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-(4-methoxy-3-nitro-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C13H18BNO5
MOLECULAR WEIGHT: 279.09672
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
Structure:
CAS RN: 675605-91-1
CAS Name: 2-[3-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-[3-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-[3-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-[3-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C14H21BO3
MOLECULAR WEIGHT: 248.12574
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)COC
Structure:
CAS RN: 603122-41-4
CAS Name: (3-methoxy-4-methoxycarbonylphenyl)boronic acid
OPENEYE Name: (3-methoxy-4-methoxycarbonyl-phenyl)boronic acid
IUPAC Name: (3-methoxy-4-methoxycarbonylphenyl)boronic acid
SYSTEMATIC NAME: (3-methoxy-4-methoxycarbonyl-phenyl)boronic acid
MOLECULAR FORMULA: C9H11BO5
MOLECULAR WEIGHT: 209.99164
SMILES: B(C1=CC(=C(C=C1)C(=O)OC)OC)(O)O
Structure:
CAS RN: 269410-23-3
CAS Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
OPENEYE Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SYSTEMATIC NAME: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
MOLECULAR FORMULA: C13H19BO4
MOLECULAR WEIGHT: 250.09856
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)O
Structure:
CAS RN: 904326-92-7
CAS Name: (6-fluoro-5-methyl-3-pyridinyl)boronic acid
OPENEYE Name: (6-fluoro-5-methyl-3-pyridyl)boronic acid
IUPAC Name: (6-fluoro-5-methylpyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-fluoranyl-5-methyl-pyridin-3-yl)boronic acid
MOLECULAR FORMULA: C6H7BFNO2
MOLECULAR WEIGHT: 154.934683
SMILES: B(C1=CC(=C(N=C1)F)C)(O)O
Structure:
CAS RN: 68716-50-7
CAS Name: 2-(2,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-(2,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-(2,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C12H15BCl2O2
MOLECULAR WEIGHT: 272.9633
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 851883-08-4
CAS Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-diamine
OPENEYE Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-diamine
IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-diamine
SYSTEMATIC NAME: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-diamine
MOLECULAR FORMULA: C12H19BN2O2
MOLECULAR WEIGHT: 234.10246
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)N
Structure:
CAS RN: 475272-13-0
CAS Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
OPENEYE Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
IUPAC Name: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
SYSTEMATIC NAME: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanenitrile
MOLECULAR FORMULA: C14H18BNO3
MOLECULAR WEIGHT: 259.10862
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC#N
Structure:
CAS RN: 445303-09-3
CAS Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C13H15BClF3O2
MOLECULAR WEIGHT: 306.51621
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)C(F)(F)F
Structure:
CAS RN: 1003043-40-0
CAS Name: (6-chloro-5-methyl-3-pyridinyl)boronic acid
OPENEYE Name: (6-chloro-5-methyl-3-pyridyl)boronic acid
IUPAC Name: (6-chloro-5-methylpyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-chloranyl-5-methyl-pyridin-3-yl)boronic acid
MOLECULAR FORMULA: C6H7BClNO2
MOLECULAR WEIGHT: 171.38928
SMILES: B(C1=CC(=C(N=C1)Cl)C)(O)O
Structure:
CAS RN: 193353-35-4
CAS Name: (2-chloro-5-methylphenyl)boronic acid
OPENEYE Name: (2-chloro-5-methyl-phenyl)boronic acid
IUPAC Name: (2-chloro-5-methylphenyl)boronic acid
SYSTEMATIC NAME: (2-chloranyl-5-methyl-phenyl)boronic acid
MOLECULAR FORMULA: C7H8BClO2
MOLECULAR WEIGHT: 170.40122
SMILES: B(C1=C(C=CC(=C1)C)Cl)(O)O
Structure:
CAS RN: 89694-46-2
CAS Name: (2-chloro-5-methoxyphenyl)boronic acid
OPENEYE Name: (2-chloro-5-methoxy-phenyl)boronic acid
IUPAC Name: (2-chloro-5-methoxyphenyl)boronic acid
SYSTEMATIC NAME: (2-chloranyl-5-methoxy-phenyl)boronic acid
MOLECULAR FORMULA: C7H8BClO3
MOLECULAR WEIGHT: 186.40062
SMILES: B(C1=C(C=CC(=C1)OC)Cl)(O)O
Structure:
CAS RN: 313545-72-1
CAS Name: (2-chloro-4-fluorophenyl)boronic acid
OPENEYE Name: (2-chloro-4-fluoro-phenyl)boronic acid
IUPAC Name: (2-chloro-4-fluorophenyl)boronic acid
SYSTEMATIC NAME: (2-chloranyl-4-fluoranyl-phenyl)boronic acid
MOLECULAR FORMULA: C6H5BClFO2
MOLECULAR WEIGHT: 174.365103
SMILES: B(C1=C(C=C(C=C1)F)Cl)(O)O
Structure:
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