AI06164
1038398-68-3 | 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI06164
ChemicalName
3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CasNumber
1038398-68-3
MolecularFormula
C11H7F3N2O2
MolecularWeight
256.18068959999994
MdlNumber
MFCD09749428
Smiles
OC(=O)c1n[nH]c(c1)c1ccc(cc1)C(F)(F)F
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI06164
ChemicalName: 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CasNumber: 1038398-68-3
MolecularFormula: C11H7F3N2O2
MolecularWeight: 256.18068959999994
MdlNumber: MFCD09749428
Smiles: OC(=O)c1n[nH]c(c1)c1ccc(cc1)C(F)(F)F
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI06164
ChemicalName:
3-(4-(Trifluoromethyl)phenyl)-1H-pyrazole-5-carboxylic acid
CasNumber:
1038398-68-3
MolecularFormula:
C11H7F3N2O2
MolecularWeight:
256.18068959999994
MdlNumber:
MFCD09749428
Smiles:
OC(=O)c1n[nH]c(c1)c1ccc(cc1)C(F)(F)F
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
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Smiles: CCOC#CC(C1CCCC1)O
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC#CC(C1CCCC1)O
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Smiles: CCOC(=O)c1ccc2c(c1)OCC(=O)N2
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Smiles:
CCOC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1ccc(cc1)c1sc(nc1C(=O)O)C
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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:
Brc1ccc(cc1)c1sc(nc1C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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