AD75430
1133-77-3 | 1-Phenyl-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD75430
ChemicalName
1-Phenyl-1H-pyrazole-5-carboxylic acid
CasNumber
1133-77-3
MolecularFormula
C10H8N2O2
MolecularWeight
188.18272
MdlNumber
MFCD00463580
Smiles
OC(=O)c1ccnn1c1ccccc1
NscNumber
40268
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AD75430
ChemicalName: 1-Phenyl-1H-pyrazole-5-carboxylic acid
CasNumber: 1133-77-3
MolecularFormula: C10H8N2O2
MolecularWeight: 188.18272
MdlNumber: MFCD00463580
Smiles: OC(=O)c1ccnn1c1ccccc1
NscNumber: 40268
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AD75430
ChemicalName:
1-Phenyl-1H-pyrazole-5-carboxylic acid
CasNumber:
1133-77-3
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.18272
MdlNumber:
MFCD00463580
Smiles:
OC(=O)c1ccnn1c1ccccc1
NscNumber:
40268
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
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Smiles: CC(=O)C1C(=O)c2c(C1=O)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)C1C(=O)c2c(C1=O)cccc2
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1cc(Br)cc(n1)C(=O)OCC
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Complexity: __
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HeavyAtomCount: __
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Smiles:
CCOC(=O)c1cc(Br)cc(n1)C(=O)OCC
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CNCCOc1ccccc1Cc1ccccc1
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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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:
CNCCOc1ccccc1Cc1ccccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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