AE09413
1017794-47-6 | 4-(1H-Pyrazol-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE09413
ChemicalName
4-(1H-Pyrazol-4-yl)benzoic acid
CasNumber
1017794-47-6
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD06803014
Smiles
OC(=O)c1ccc(cc1)c1c[nH]nc1
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AE09413
ChemicalName: 4-(1H-Pyrazol-4-yl)benzoic acid
CasNumber: 1017794-47-6
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD06803014
Smiles: OC(=O)c1ccc(cc1)c1c[nH]nc1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AE09413
ChemicalName:
4-(1H-Pyrazol-4-yl)benzoic acid
CasNumber:
1017794-47-6
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD06803014
Smiles:
OC(=O)c1ccc(cc1)c1c[nH]nc1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)c1ccn2c(n1)ccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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__
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccn2c(n1)ccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1ccc(cc1C(=O)c1ccccc1)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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__
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MolecularFormula:
__
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Smiles:
Oc1ccc(cc1C(=O)c1ccccc1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Brc1cnc(nc1)Oc1cccc(c1)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc(nc1)Oc1cccc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__