AD27418
220462-27-1 | 4-[3-(Trifluoromethyl)-1h-pyrazol-1-yl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD27418
ChemicalName
4-[3-(Trifluoromethyl)-1h-pyrazol-1-yl]benzoic acid
CasNumber
220462-27-1
MolecularFormula
C11H7F3N2O2
MolecularWeight
256.1807
MdlNumber
MFCD03086203
Smiles
OC(=O)c1ccc(cc1)n1ccc(n1)C(F)(F)F
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AD27418
ChemicalName: 4-[3-(Trifluoromethyl)-1h-pyrazol-1-yl]benzoic acid
CasNumber: 220462-27-1
MolecularFormula: C11H7F3N2O2
MolecularWeight: 256.1807
MdlNumber: MFCD03086203
Smiles: OC(=O)c1ccc(cc1)n1ccc(n1)C(F)(F)F
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AD27418
ChemicalName:
4-[3-(Trifluoromethyl)-1h-pyrazol-1-yl]benzoic acid
CasNumber:
220462-27-1
MolecularFormula:
C11H7F3N2O2
MolecularWeight:
256.1807
MdlNumber:
MFCD03086203
Smiles:
OC(=O)c1ccc(cc1)n1ccc(n1)C(F)(F)F
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: ClC(=O)c1ccc(cc1)n1ccc(n1)C(F)(F)F
Complexity: __
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Smiles:
ClC(=O)c1ccc(cc1)n1ccc(n1)C(F)(F)F
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Smiles: Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)O
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Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)O
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Smiles: c1ccc2c(c1)Cc1c(C2)[nH]c2c1cccc2
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Smiles:
c1ccc2c(c1)Cc1c(C2)[nH]c2c1cccc2
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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