AX10728
948293-88-7 | 1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AX10728
ChemicalName
1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber
948293-88-7
MolecularFormula
C11H6ClF3N2O2
MolecularWeight
290.6257
MdlNumber
MFCD08446379
Smiles
Clc1ccccc1n1ncc(c1C(F)(F)F)C(=O)O
Complexity
353
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AX10728
ChemicalName: 1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber: 948293-88-7
MolecularFormula: C11H6ClF3N2O2
MolecularWeight: 290.6257
MdlNumber: MFCD08446379
Smiles: Clc1ccccc1n1ncc(c1C(F)(F)F)C(=O)O
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AX10728
ChemicalName:
1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber:
948293-88-7
MolecularFormula:
C11H6ClF3N2O2
MolecularWeight:
290.6257
MdlNumber:
MFCD08446379
Smiles:
Clc1ccccc1n1ncc(c1C(F)(F)F)C(=O)O
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)[n+]1cccc(c1)C(=O)N.[Cl-]
Complexity: 314
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)[n+]1cccc(c1)C(=O)N.[Cl-]
Complexity:
314
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1nc(oc1NCCN(C)C)c1ccccc1Cl
Complexity: __
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Smiles:
N#Cc1nc(oc1NCCN(C)C)c1ccccc1Cl
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Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]nc2F
Complexity: __
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MolecularFormula:
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Smiles:
[O-][N+](=O)c1ccc2c(c1)[nH]nc2F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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