AC72502
98534-81-7 | 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC72502
ChemicalName
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber
98534-81-7
MolecularFormula
C11H7F3N2O2
MolecularWeight
256.1807
MdlNumber
MFCD00173854
Smiles
OC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AC72502
ChemicalName: 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber: 98534-81-7
MolecularFormula: C11H7F3N2O2
MolecularWeight: 256.1807
MdlNumber: MFCD00173854
Smiles: OC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AC72502
ChemicalName:
1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber:
98534-81-7
MolecularFormula:
C11H7F3N2O2
MolecularWeight:
256.1807
MdlNumber:
MFCD00173854
Smiles:
OC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Complexity: 345
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
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MolecularWeight:
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Smiles:
Clc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Complexity:
345
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
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MolecularWeight: __
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Smiles: c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)c1cccs1.F[Sb-](F)(F)(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Xlogp3: __
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Smiles:
c1ccc(cc1)[S+](c1ccccc1)c1ccc(cc1)c1cccs1.F[Sb-](F)(F)(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C1CCCCC1C(c1ccc(cc1)[N+](=O)[O-])O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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=C1CCCCC1C(c1ccc(cc1)[N+](=O)[O-])O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__