AI29855
1314400-72-0 | 5-(Trifluoromethyl)-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI29855
ChemicalName
5-(Trifluoromethyl)-1h-pyrrole-2-carboxylic acid
CasNumber
1314400-72-0
MolecularFormula
C6H4F3NO2
MolecularWeight
179.09666959999998
MdlNumber
MFCD07375476
Smiles
OC(=O)c1ccc([nH]1)C(F)(F)F
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AI29855
ChemicalName: 5-(Trifluoromethyl)-1h-pyrrole-2-carboxylic acid
CasNumber: 1314400-72-0
MolecularFormula: C6H4F3NO2
MolecularWeight: 179.09666959999998
MdlNumber: MFCD07375476
Smiles: OC(=O)c1ccc([nH]1)C(F)(F)F
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI29855
ChemicalName:
5-(Trifluoromethyl)-1h-pyrrole-2-carboxylic acid
CasNumber:
1314400-72-0
MolecularFormula:
C6H4F3NO2
MolecularWeight:
179.09666959999998
MdlNumber:
MFCD07375476
Smiles:
OC(=O)c1ccc([nH]1)C(F)(F)F
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.5
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Smiles: OC[C@]12CCCO[C@@H]2CCN(C1)C(=O)OC(C)(C)C
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Smiles:
OC[C@]12CCCO[C@@H]2CCN(C1)C(=O)OC(C)(C)C
Complexity:
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__
HeavyAtomCount:
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RotatableBondCount:
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Smiles: Clc1cccc2c1NCCS2
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Smiles:
Clc1cccc2c1NCCS2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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