CAS RN: 141080-73-1
CAS Name: 4-(bromomethyl)-1-fluoro-2-methoxybenzene
OPENEYE Name: 4-(bromomethyl)-1-fluoro-2-methoxy-benzene
IUPAC Name: 4-(bromomethyl)-1-fluoro-2-methoxybenzene
SYSTEMATIC NAME: 4-(bromomethyl)-1-fluoranyl-2-methoxy-benzene
MOLECULAR FORMULA: C8H8BrFO
MOLECULAR WEIGHT: 219.050923
SMILES: COC1=C(C=CC(=C1)CBr)F
Structure:
CAS RN: 603310-75-4
CAS Name: 5-propan-2-yl-2-pyridinamine
OPENEYE Name: 5-isopropylpyridin-2-amine
IUPAC Name: 5-propan-2-ylpyridin-2-amine
SYSTEMATIC NAME: 5-propan-2-ylpyridin-2-amine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC(C)C1=CN=C(C=C1)N
Structure:
CAS RN: 603301-02-6
CAS Name: 7-bromo-5H-furo[3,2-c]pyridin-4-one
OPENEYE Name: 7-bromo-5H-furo[3,2-c]pyridin-4-one
IUPAC Name: 7-bromo-5H-furo[3,2-c]pyridin-4-one
SYSTEMATIC NAME: 7-bromanyl-5H-furo[3,2-c]pyridin-4-one
MOLECULAR FORMULA: C7H4BrNO2
MOLECULAR WEIGHT: 214.01616
SMILES: C1=COC2=C1C(=O)NC=C2Br
Structure:
CAS RN: 603301-13-9
CAS Name: 5-bromoimidazo[1,2-a]pyridine hydrobromide
OPENEYE Name: 5-bromoimidazo[1,2-a]pyridine hydrobromide
IUPAC Name: 5-bromoimidazo[1,2-a]pyridine hydrobromide
SYSTEMATIC NAME: 5-bromanylimidazo[1,2-a]pyridine hydrobromide
MOLECULAR FORMULA: C7H6Br2N2
MOLECULAR WEIGHT: 277.94394
SMILES: C1=CC2=NC=CN2C(=C1)Br.Br
Structure:
CAS RN: 636581-61-8
CAS Name: 2-amino-5-bromo-3-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 2-amino-5-bromo-3-nitro-benzoate
IUPAC Name: methyl 2-amino-5-bromo-3-nitrobenzoate
SYSTEMATIC NAME: methyl 2-azanyl-5-bromanyl-3-nitro-benzoate
MOLECULAR FORMULA: C8H7BrN2O4
MOLECULAR WEIGHT: 275.05618
SMILES: COC(=O)C1=CC(=CC(=C1N)[N+](=O)[O-])Br
Structure:
CAS RN: 41327-15-5
CAS Name: 5-bromo-3-methyl-1-phenylpyrazole
OPENEYE Name: 5-bromo-3-methyl-1-phenyl-pyrazole
IUPAC Name: 5-bromo-3-methyl-1-phenylpyrazole
SYSTEMATIC NAME: 5-bromanyl-3-methyl-1-phenyl-pyrazole
MOLECULAR FORMULA: C10H9BrN2
MOLECULAR WEIGHT: 237.09586
SMILES: CC1=NN(C(=C1)Br)C2=CC=CC=C2
Structure:
CAS RN: 445441-74-7
CAS Name: 1-methyl-3-(1-methyl-4-piperidinyl)-5-indolol
OPENEYE Name: 1-methyl-3-(1-methyl-4-piperidyl)indol-5-ol
IUPAC Name: 1-methyl-3-(1-methylpiperidin-4-yl)indol-5-ol
SYSTEMATIC NAME: 1-methyl-3-(1-methylpiperidin-4-yl)indol-5-ol
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CN1CCC(CC1)C2=CN(C3=C2C=C(C=C3)O)C
Structure:
CAS RN: 688782-02-7
CAS Name: 4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 4-chloranyl-3-methyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C8H7ClN2
MOLECULAR WEIGHT: 166.60758
SMILES: CC1=CNC2=NC=CC(=C12)Cl
Structure:
CAS RN: 55155-78-7
CAS Name: N,N,N',N'-tetrakis(prop-2-enyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N,N,N',N'-tetraallylethane-1,2-diamine hydrochloride
IUPAC Name: N,N,N',N'-tetrakis(prop-2-enyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N,N,N',N'-tetrakis(prop-2-enyl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C14H25ClN2
MOLECULAR WEIGHT: 256.8147
SMILES: C=CCN(CCN(CC=C)CC=C)CC=C.Cl
Structure:
CAS RN: 875237-46-0
CAS Name: 4-methyl-2-oxo-3H-thiazole-5-carboxylic acid
OPENEYE Name: 4-methyl-2-oxo-3H-thiazole-5-carboxylic acid
IUPAC Name: 4-methyl-2-oxo-3H-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 4-methyl-2-oxidanylidene-3H-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C5H5NO3S
MOLECULAR WEIGHT: 159.1631
SMILES: CC1=C(SC(=O)N1)C(=O)O
Structure:
CAS RN: 23301-82-8
CAS Name: samarium; 1,1,1-trifluoropentane-2,4-dione
OPENEYE Name: samarium; 1,1,1-trifluoropentane-2,4-dione
IUPAC Name: samarium; 1,1,1-trifluoropentane-2,4-dione
SYSTEMATIC NAME: samarium; 1,1,1-tris(fluoranyl)pentane-2,4-dione
MOLECULAR FORMULA: C15H15F9O6Sm
MOLECULAR WEIGHT: 612.621629
SMILES: CC(=O)CC(=O)C(F)(F)F.CC(=O)CC(=O)C(F)(F)F.CC(=O)CC(=O)C(F)(F)F.[Sm]
Structure:
CAS RN: 744193-07-5
CAS Name: 1,5-dimethyl-2-pyrrolecarboximidamide hydrochloride
OPENEYE Name: 1,5-dimethylpyrrole-2-carboxamidine hydrochloride
IUPAC Name: 1,5-dimethylpyrrole-2-carboximidamide hydrochloride
SYSTEMATIC NAME: 1,5-dimethylpyrrole-2-carboximidamide hydrochloride
MOLECULAR FORMULA: C7H12ClN3
MOLECULAR WEIGHT: 173.64328
SMILES: CC1=CC=C(N1C)C(=N)N.Cl
Structure:
CAS RN: 429682-68-8
CAS Name: N-(4-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide
OPENEYE Name: N-(4-bromo-1-oxo-indan-5-yl)acetamide
IUPAC Name: N-(4-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide
SYSTEMATIC NAME: N-(4-bromanyl-1-oxidanylidene-2,3-dihydroinden-5-yl)ethanamide
MOLECULAR FORMULA: C11H10BrNO2
MOLECULAR WEIGHT: 268.1066
SMILES: CC(=O)NC1=C(C2=C(C=C1)C(=O)CC2)Br
Structure:
CAS RN: 38875-76-2
CAS Name: 4-chloro-6-methyl-3-pyridinecarbonitrile
OPENEYE Name: 4-chloro-6-methyl-pyridine-3-carbonitrile
IUPAC Name: 4-chloro-6-methylpyridine-3-carbonitrile
SYSTEMATIC NAME: 4-chloranyl-6-methyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C7H5ClN2
MOLECULAR WEIGHT: 152.581
SMILES: CC1=NC=C(C(=C1)Cl)C#N
Structure:
CAS RN: 85187-19-5
CAS Name: tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] silicate
OPENEYE Name: tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] silicate
IUPAC Name: tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] silicate
SYSTEMATIC NAME: tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] silicate
MOLECULAR FORMULA: C28H60O16Si
MOLECULAR WEIGHT: 680.8519
SMILES: COCCOCCOCCO[Si](OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC
Structure:
CAS RN: 268734-34-5
CAS Name: 4-cyano-3-fluorobenzoic acid methyl ester
OPENEYE Name: methyl 4-cyano-3-fluoro-benzoate
IUPAC Name: methyl 4-cyano-3-fluorobenzoate
SYSTEMATIC NAME: methyl 4-cyano-3-fluoranyl-benzoate
MOLECULAR FORMULA: C9H6FNO2
MOLECULAR WEIGHT: 179.147843
SMILES: COC(=O)C1=CC(=C(C=C1)C#N)F
Structure:
CAS RN: 18917-93-6
CAS Name: magnesium 2-hydroxypropanoate trihydrate
OPENEYE Name: magnesium 2-hydroxypropanoate trihydrate
IUPAC Name: magnesium 2-hydroxypropanoate trihydrate
SYSTEMATIC NAME: magnesium 2-oxidanylpropanoate trihydrate
MOLECULAR FORMULA: C6H16MgO9
MOLECULAR WEIGHT: 256.49084
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.[Mg+2]
Structure:
CAS RN: 1204580-76-6
CAS Name: tributyl-[6-(trifluoromethyl)-3-pyridinyl]stannane
OPENEYE Name: tributyl-[6-(trifluoromethyl)-3-pyridyl]stannane
IUPAC Name: tributyl-[6-(trifluoromethyl)pyridin-3-yl]stannane
SYSTEMATIC NAME: tributyl-[6-(trifluoromethyl)pyridin-3-yl]stannane
MOLECULAR FORMULA: C18H30F3NSn
MOLECULAR WEIGHT: 436.14271
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=C(C=C1)C(F)(F)F
Structure:
CAS RN: 85422-99-7
CAS Name: 1-[2-hydroxyethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxy-2-propanol
OPENEYE Name: 1-[2-hydroxyethyl-(2-hydroxy-3-phenoxy-propyl)amino]-3-phenoxy-propan-2-ol
IUPAC Name: 1-[2-hydroxyethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[2-hydroxyethyl-(2-oxidanyl-3-phenoxy-propyl)amino]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C20H27NO5
MOLECULAR WEIGHT: 361.43208
SMILES: C1=CC=C(C=C1)OCC(CN(CCO)CC(COC2=CC=CC=C2)O)O
Structure:
CAS RN: 5415-19-0
CAS Name: sodium 1H-indol-3-ol
OPENEYE Name: sodium 1H-indol-3-ol
IUPAC Name: sodium 1H-indol-3-ol
SYSTEMATIC NAME: sodium 1H-indol-3-ol
MOLECULAR FORMULA: C8H7NNaO+
MOLECULAR WEIGHT: 156.13705
SMILES: C1=CC=C2C(=C1)C(=CN2)O.[Na+]
Structure:
CAS RN: 125328-76-9
CAS Name: 1-(5-bromo-4-chloro-3-hydroxy-1-indolyl)ethanone
OPENEYE Name: 1-(5-bromo-4-chloro-3-hydroxy-indol-1-yl)ethanone
IUPAC Name: 1-(5-bromo-4-chloro-3-hydroxyindol-1-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-4-chloranyl-3-oxidanyl-indol-1-yl)ethanone
MOLECULAR FORMULA: C10H7BrClNO2
MOLECULAR WEIGHT: 288.52508
SMILES: CC(=O)N1C=C(C2=C1C=CC(=C2Cl)Br)O
Structure:
CAS RN: 1214385-64-4
CAS Name: 1-fluoro-4-methyl-2-(trifluoromethyl)benzene
OPENEYE Name: 1-fluoro-4-methyl-2-(trifluoromethyl)benzene
IUPAC Name: 1-fluoro-4-methyl-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-fluoranyl-4-methyl-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6F4
MOLECULAR WEIGHT: 178.126853
SMILES: CC1=CC(=C(C=C1)F)C(F)(F)F
Structure:
CAS RN: 1099598-02-3
CAS Name: 1-fluoro-3-methyl-5-(trifluoromethyl)benzene
OPENEYE Name: 1-fluoro-3-methyl-5-(trifluoromethyl)benzene
IUPAC Name: 1-fluoro-3-methyl-5-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-fluoranyl-3-methyl-5-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6F4
MOLECULAR WEIGHT: 178.126853
SMILES: CC1=CC(=CC(=C1)F)C(F)(F)F
Structure:
CAS RN: 629-16-3
CAS Name: nitrous acid 2-nitrosooxyethyl ester
OPENEYE Name: 2-nitrosooxyethyl nitrite
IUPAC Name: 2-nitrosooxyethyl nitrite
SYSTEMATIC NAME: 2-nitrosooxyethyl nitrite
MOLECULAR FORMULA: C2H4N2O4
MOLECULAR WEIGHT: 120.06416
SMILES: C(CON=O)ON=O
Structure:
CAS RN: 1105187-44-7
CAS Name: 4-(3-bromophenyl)-2-pyrrolidinone
OPENEYE Name: 4-(3-bromophenyl)pyrrolidin-2-one
IUPAC Name: 4-(3-bromophenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 4-(3-bromophenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C10H10BrNO
MOLECULAR WEIGHT: 240.0965
SMILES: C1C(CNC1=O)C2=CC(=CC=C2)Br
Structure:
CAS RN: 199172-01-5
CAS Name: 6-bromo-3-ethyl-2H-indazole
OPENEYE Name: 6-bromo-3-ethyl-2H-indazole
IUPAC Name: 6-bromo-3-ethyl-2H-indazole
SYSTEMATIC NAME: 6-bromanyl-3-ethyl-2H-indazole
MOLECULAR FORMULA: C9H9BrN2
MOLECULAR WEIGHT: 225.08516
SMILES: CCC1=C2C=CC(=CC2=NN1)Br
Structure:
CAS RN: 750556-81-1
CAS Name: 2-bromo-1-(1-methyl-2-imidazolyl)ethanone
OPENEYE Name: 2-bromo-1-(1-methylimidazol-2-yl)ethanone
IUPAC Name: 2-bromo-1-(1-methylimidazol-2-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(1-methylimidazol-2-yl)ethanone
MOLECULAR FORMULA: C6H7BrN2O
MOLECULAR WEIGHT: 203.03658
SMILES: CN1C=CN=C1C(=O)CBr
Structure:
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