AI62552
93618-30-5 | 3-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62552
ChemicalName
3-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CasNumber
93618-30-5
MolecularFormula
C11H7F3N2O2
MolecularWeight
256.1807
MdlNumber
MFCD09749429
Smiles
OC(=O)c1n[nH]c(c1)c1cccc(c1)C(F)(F)F
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI62552
ChemicalName: 3-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CasNumber: 93618-30-5
MolecularFormula: C11H7F3N2O2
MolecularWeight: 256.1807
MdlNumber: MFCD09749429
Smiles: OC(=O)c1n[nH]c(c1)c1cccc(c1)C(F)(F)F
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI62552
ChemicalName:
3-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CasNumber:
93618-30-5
MolecularFormula:
C11H7F3N2O2
MolecularWeight:
256.1807
MdlNumber:
MFCD09749429
Smiles:
OC(=O)c1n[nH]c(c1)c1cccc(c1)C(F)(F)F
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
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Smiles: COc1ccc(cc1)c1nn(c(c1)C(=O)O)C
Complexity: __
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Smiles:
COc1ccc(cc1)c1nn(c(c1)C(=O)O)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: CCOC(=O)c1n[nH]c(c1)c1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Smiles:
CCOC(=O)c1n[nH]c(c1)c1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
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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Smiles: O=C(OC(C)(C)C)NC(C1CCc2c(C1)cccc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(OC(C)(C)C)NC(C1CCc2c(C1)cccc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__