CAS RN: 656226-63-0
CAS Name: 5-(1H-pyrazol-5-yl)-2-thiophenecarboxylic acid
OPENEYE Name: 5-(1H-pyrazol-5-yl)thiophene-2-carboxylic acid
IUPAC Name: 5-(1H-pyrazol-5-yl)thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-(1H-pyrazol-5-yl)thiophene-2-carboxylic acid
MOLECULAR FORMULA: C8H6N2O2S
MOLECULAR WEIGHT: 194.21044
SMILES: C1=C(SC(=C1)C(=O)O)C2=CC=NN2
Structure:
CAS RN: 435280-98-1
CAS Name: N-(2,6-dimethylphenyl)-1H-benzimidazol-2-amine
OPENEYE Name: N-(2,6-dimethylphenyl)-1H-benzimidazol-2-amine
IUPAC Name: N-(2,6-dimethylphenyl)-1H-benzimidazol-2-amine
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1H-benzimidazol-2-amine
MOLECULAR FORMULA: C15H15N3
MOLECULAR WEIGHT: 237.2997
SMILES: CC1=C(C(=CC=C1)C)NC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 901586-62-7
CAS Name: 4-chloro-6-ethyl-2-(1-pyrrolidinyl)pyrimidine
OPENEYE Name: 4-chloro-6-ethyl-2-pyrrolidin-1-yl-pyrimidine
IUPAC Name: 4-chloro-6-ethyl-2-pyrrolidin-1-ylpyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-ethyl-2-pyrrolidin-1-yl-pyrimidine
MOLECULAR FORMULA: C10H14ClN3
MOLECULAR WEIGHT: 211.69126
SMILES: CCC1=CC(=NC(=N1)N2CCCC2)Cl
Structure:
CAS RN: 901586-60-5
CAS Name: 4-(4-chloro-6-ethyl-2-pyrimidinyl)morpholine
OPENEYE Name: 4-(4-chloro-6-ethyl-pyrimidin-2-yl)morpholine
IUPAC Name: 4-(4-chloro-6-ethylpyrimidin-2-yl)morpholine
SYSTEMATIC NAME: 4-(4-chloranyl-6-ethyl-pyrimidin-2-yl)morpholine
MOLECULAR FORMULA: C10H14ClN3O
MOLECULAR WEIGHT: 227.69066
SMILES: CCC1=CC(=NC(=N1)N2CCOCC2)Cl
Structure:
CAS RN: 901586-58-1
CAS Name: 4-chloro-6-ethyl-2-(1-piperidinyl)pyrimidine
OPENEYE Name: 4-chloro-6-ethyl-2-(1-piperidyl)pyrimidine
IUPAC Name: 4-chloro-6-ethyl-2-piperidin-1-ylpyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-ethyl-2-piperidin-1-yl-pyrimidine
MOLECULAR FORMULA: C11H16ClN3
MOLECULAR WEIGHT: 225.71784
SMILES: CCC1=CC(=NC(=N1)N2CCCCC2)Cl
Structure:
CAS RN: 53461-40-8
CAS Name: 4-chloro-6-methyl-2-(1-pyrrolidinyl)pyrimidine
OPENEYE Name: 4-chloro-6-methyl-2-pyrrolidin-1-yl-pyrimidine
IUPAC Name: 4-chloro-6-methyl-2-pyrrolidin-1-ylpyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-methyl-2-pyrrolidin-1-yl-pyrimidine
MOLECULAR FORMULA: C9H12ClN3
MOLECULAR WEIGHT: 197.66468
SMILES: CC1=CC(=NC(=N1)N2CCCC2)Cl
Structure:
CAS RN: 4045-31-2
CAS Name: 4-ethyl-4-methylpiperidine
OPENEYE Name: 4-ethyl-4-methyl-piperidine
IUPAC Name: 4-ethyl-4-methylpiperidine
SYSTEMATIC NAME: 4-ethyl-4-methyl-piperidine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CCC1(CCNCC1)C
Structure:
CAS RN: 21085-72-3
CAS Name: (3S,5R,6R)-3,4,5-triacetyloxy-6-bromo-2-oxanecarboxylic acid methyl ester
OPENEYE Name: methyl (3S,5R,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylate
IUPAC Name: methyl (3S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
SYSTEMATIC NAME: methyl (3S,5R,6R)-3,4,5-triacetyloxy-6-bromanyl-oxane-2-carboxylate
MOLECULAR FORMULA: C13H17BrO9
MOLECULAR WEIGHT: 397.17268
SMILES: CC(=O)O[C@H]1[C@H](OC([C@H](C1OC(=O)C)OC(=O)C)C(=O)OC)Br
Structure:
CAS RN: 572-09-8
CAS Name: acetic acid [(3R,5R,6R)-3,4,5-triacetyloxy-6-bromo-2-oxanyl]methyl ester
OPENEYE Name: [(3R,5R,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(3R,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(3R,5R,6R)-3,4,5-triacetyloxy-6-bromanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H19BrO9
MOLECULAR WEIGHT: 411.19926
SMILES: CC(=O)OCC1[C@H](C([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 17136-54-8
CAS Name: (2R)-2-amino-3-chloropropanoic acid methyl ester hydrochloride
OPENEYE Name: methyl (2R)-2-amino-3-chloro-propanoate hydrochloride
IUPAC Name: methyl (2R)-2-amino-3-chloropropanoate hydrochloride
SYSTEMATIC NAME: methyl (2R)-2-azanyl-3-chloranyl-propanoate hydrochloride
MOLECULAR FORMULA: C4H9Cl2NO2
MOLECULAR WEIGHT: 174.02576
SMILES: COC(=O)[C@H](CCl)N.Cl
Structure:
CAS RN: 14227-66-8
CAS Name: acetic acid [(3R,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,4S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromo-3-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [(3R,5R,6S)-3,4,5-triacetoxy-6-[(2R,4S)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(3R,5R,6S)-3,4,5-triacetyloxy-6-[(2R,4S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(3R,5R,6S)-3,4,5-triacetyloxy-6-[(2R,4S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromanyl-oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C26H35BrO17
MOLECULAR WEIGHT: 699.4499
SMILES: CC(=O)OC[C@@H]1C([C@@H](C(C(O1)Br)OC(=O)C)OC(=O)C)O[C@H]2[C@@H](C([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 3068-32-4
CAS Name: acetic acid [(5R,6R)-3,4,5-triacetyloxy-6-bromo-2-oxanyl]methyl ester
OPENEYE Name: [(5R,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(5R,6R)-3,4,5-triacetyloxy-6-bromanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C14H19BrO9
MOLECULAR WEIGHT: 411.19926
SMILES: CC(=O)OCC1C(C([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 4049-33-6
CAS Name: acetic acid [(4S,6S)-4,5,6-triacetyloxy-3-oxanyl] ester
OPENEYE Name: [(4S,6S)-4,5,6-triacetoxytetrahydropyran-3-yl] acetate
IUPAC Name: [(4S,6S)-4,5,6-triacetyloxyoxan-3-yl] acetate
SYSTEMATIC NAME: [(4S,6S)-4,5,6-triacetyloxyoxan-3-yl] ethanoate
MOLECULAR FORMULA: C13H18O9
MOLECULAR WEIGHT: 318.27662
SMILES: CC(=O)O[C@H]1C(CO[C@H](C1OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 317319-34-9
CAS Name: 2-fluoro-4-(trifluoromethyl)benzenecarbothioamide
OPENEYE Name: 2-fluoro-4-(trifluoromethyl)benzenecarbothioamide
IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzenecarbothioamide
SYSTEMATIC NAME: 2-fluoranyl-4-(trifluoromethyl)benzenecarbothioamide
MOLECULAR FORMULA: C8H5F4NS
MOLECULAR WEIGHT: 223.190613
SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C(=S)N
Structure:
CAS RN: 732306-27-3
CAS Name: 5-(chloromethyl)-1,2,3-trifluorobenzene
OPENEYE Name: 5-(chloromethyl)-1,2,3-trifluoro-benzene
IUPAC Name: 5-(chloromethyl)-1,2,3-trifluorobenzene
SYSTEMATIC NAME: 5-(chloromethyl)-1,2,3-tris(fluoranyl)benzene
MOLECULAR FORMULA: C7H4ClF3
MOLECULAR WEIGHT: 180.55487
SMILES: C1=C(C=C(C(=C1F)F)F)CCl
Structure:
CAS RN: 80427-49-2
CAS Name: 1,2,3,5-tetrafluoro-4-methylbenzene
OPENEYE Name: 1,2,3,5-tetrafluoro-4-methyl-benzene
IUPAC Name: 1,2,3,5-tetrafluoro-4-methylbenzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(fluoranyl)-4-methyl-benzene
MOLECULAR FORMULA: C7H4F4
MOLECULAR WEIGHT: 164.100273
SMILES: CC1=C(C(=C(C=C1F)F)F)F
Structure:
CAS RN: 53001-70-0
CAS Name: (2,3,4,6-tetrafluorophenyl)methanol
OPENEYE Name: (2,3,4,6-tetrafluorophenyl)methanol
IUPAC Name: (2,3,4,6-tetrafluorophenyl)methanol
SYSTEMATIC NAME: [2,3,4,6-tetrakis(fluoranyl)phenyl]methanol
MOLECULAR FORMULA: C7H4F4O
MOLECULAR WEIGHT: 180.099673
SMILES: C1=C(C(=C(C(=C1F)F)F)CO)F
Structure:
CAS RN: 401-85-4
CAS Name: 1,3-difluoro-5-(trifluoromethyl)benzene
OPENEYE Name: 1,3-difluoro-5-(trifluoromethyl)benzene
IUPAC Name: 1,3-difluoro-5-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1,3-bis(fluoranyl)-5-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3F5
MOLECULAR WEIGHT: 182.090736
SMILES: C1=C(C=C(C=C1F)F)C(F)(F)F
Structure:
CAS RN: 60903-83-5
CAS Name: 1-chloro-4-(chloromethyl)-2,3,5,6-tetrafluorobenzene
OPENEYE Name: 1-chloro-4-(chloromethyl)-2,3,5,6-tetrafluoro-benzene
IUPAC Name: 1-chloro-4-(chloromethyl)-2,3,5,6-tetrafluorobenzene
SYSTEMATIC NAME: 1-chloranyl-4-(chloromethyl)-2,3,5,6-tetrakis(fluoranyl)benzene
MOLECULAR FORMULA: C7H2Cl2F4
MOLECULAR WEIGHT: 232.990393
SMILES: C(C1=C(C(=C(C(=C1F)F)Cl)F)F)Cl
Structure:
CAS RN: 292621-59-1
CAS Name: 1-chloro-3-(chloromethyl)-2,4,5,6-tetrafluorobenzene
OPENEYE Name: 1-chloro-3-(chloromethyl)-2,4,5,6-tetrafluoro-benzene
IUPAC Name: 1-chloro-3-(chloromethyl)-2,4,5,6-tetrafluorobenzene
SYSTEMATIC NAME: 1-chloranyl-3-(chloromethyl)-2,4,5,6-tetrakis(fluoranyl)benzene
MOLECULAR FORMULA: C7H2Cl2F4
MOLECULAR WEIGHT: 232.990393
SMILES: C(C1=C(C(=C(C(=C1F)Cl)F)F)F)Cl
Structure:
CAS RN: 35175-80-5
CAS Name: (4-chloro-2,3,5,6-tetrafluorophenyl)methanol
OPENEYE Name: (4-chloro-2,3,5,6-tetrafluoro-phenyl)methanol
IUPAC Name: (4-chloro-2,3,5,6-tetrafluorophenyl)methanol
SYSTEMATIC NAME: [4-chloranyl-2,3,5,6-tetrakis(fluoranyl)phenyl]methanol
MOLECULAR FORMULA: C7H3ClF4O
MOLECULAR WEIGHT: 214.544733
SMILES: C(C1=C(C(=C(C(=C1F)F)Cl)F)F)O
Structure:
CAS RN: 67640-29-3
CAS Name: (3-chloro-2,4,5,6-tetrafluorophenyl)methanol
OPENEYE Name: (3-chloro-2,4,5,6-tetrafluoro-phenyl)methanol
IUPAC Name: (3-chloro-2,4,5,6-tetrafluorophenyl)methanol
SYSTEMATIC NAME: [3-chloranyl-2,4,5,6-tetrakis(fluoranyl)phenyl]methanol
MOLECULAR FORMULA: C7H3ClF4O
MOLECULAR WEIGHT: 214.544733
SMILES: C(C1=C(C(=C(C(=C1F)Cl)F)F)F)O
Structure:
CAS RN: 33564-68-0
CAS Name: 1-bromo-2,3,5,6-tetrafluoro-4-methylbenzene
OPENEYE Name: 1-bromo-2,3,5,6-tetrafluoro-4-methyl-benzene
IUPAC Name: 1-bromo-2,3,5,6-tetrafluoro-4-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzene
MOLECULAR FORMULA: C7H3BrF4
MOLECULAR WEIGHT: 242.996333
SMILES: CC1=C(C(=C(C(=C1F)F)Br)F)F
Structure:
CAS RN: 16583-13-4
CAS Name: 1-bromo-2,3,4,5-tetrafluoro-6-methylbenzene
OPENEYE Name: 1-bromo-2,3,4,5-tetrafluoro-6-methyl-benzene
IUPAC Name: 1-bromo-2,3,4,5-tetrafluoro-6-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-2,3,4,5-tetrakis(fluoranyl)-6-methyl-benzene
MOLECULAR FORMULA: C7H3BrF4
MOLECULAR WEIGHT: 242.996333
SMILES: CC1=C(C(=C(C(=C1Br)F)F)F)F
Structure:
CAS RN: 292621-54-6
CAS Name: 1-bromo-4-(chloromethyl)-2,3,5,6-tetrafluorobenzene
OPENEYE Name: 1-bromo-4-(chloromethyl)-2,3,5,6-tetrafluoro-benzene
IUPAC Name: 1-bromo-4-(chloromethyl)-2,3,5,6-tetrafluorobenzene
SYSTEMATIC NAME: 1-bromanyl-4-(chloromethyl)-2,3,5,6-tetrakis(fluoranyl)benzene
MOLECULAR FORMULA: C7H2BrClF4
MOLECULAR WEIGHT: 277.441393
SMILES: C(C1=C(C(=C(C(=C1F)F)Br)F)F)Cl
Structure:
CAS RN: 292621-52-4
CAS Name: 1-bromo-3-(chloromethyl)-2,4,5,6-tetrafluorobenzene
OPENEYE Name: 1-bromo-3-(chloromethyl)-2,4,5,6-tetrafluoro-benzene
IUPAC Name: 1-bromo-3-(chloromethyl)-2,4,5,6-tetrafluorobenzene
SYSTEMATIC NAME: 1-bromanyl-3-(chloromethyl)-2,4,5,6-tetrakis(fluoranyl)benzene
MOLECULAR FORMULA: C7H2BrClF4
MOLECULAR WEIGHT: 277.441393
SMILES: C(C1=C(C(=C(C(=C1F)Br)F)F)F)Cl
Structure:
CAS RN: 292621-50-2
CAS Name: 1-bromo-2-(chloromethyl)-3,4,5,6-tetrafluorobenzene
OPENEYE Name: 1-bromo-2-(chloromethyl)-3,4,5,6-tetrafluoro-benzene
IUPAC Name: 1-bromo-2-(chloromethyl)-3,4,5,6-tetrafluorobenzene
SYSTEMATIC NAME: 1-bromanyl-2-(chloromethyl)-3,4,5,6-tetrakis(fluoranyl)benzene
MOLECULAR FORMULA: C7H2BrClF4
MOLECULAR WEIGHT: 277.441393
SMILES: C(C1=C(C(=C(C(=C1Br)F)F)F)F)Cl
Structure:
CAS RN: 292621-48-8
CAS Name: (3-bromo-2,4,5,6-tetrafluorophenyl)methanol
OPENEYE Name: (3-bromo-2,4,5,6-tetrafluoro-phenyl)methanol
IUPAC Name: (3-bromo-2,4,5,6-tetrafluorophenyl)methanol
SYSTEMATIC NAME: [3-bromanyl-2,4,5,6-tetrakis(fluoranyl)phenyl]methanol
MOLECULAR FORMULA: C7H3BrF4O
MOLECULAR WEIGHT: 258.995733
SMILES: C(C1=C(C(=C(C(=C1F)Br)F)F)F)O
Structure:
CAS RN: 292621-47-7
CAS Name: (2-bromo-3,4,5,6-tetrafluorophenyl)methanol
OPENEYE Name: (2-bromo-3,4,5,6-tetrafluoro-phenyl)methanol
IUPAC Name: (2-bromo-3,4,5,6-tetrafluorophenyl)methanol
SYSTEMATIC NAME: [2-bromanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]methanol
MOLECULAR FORMULA: C7H3BrF4O
MOLECULAR WEIGHT: 258.995733
SMILES: C(C1=C(C(=C(C(=C1Br)F)F)F)F)O
Structure:
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