AB30908
264264-33-7 | 3-(1H-Pyrazol-1-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB30908
ChemicalName
3-(1H-Pyrazol-1-yl)benzoic acid
CasNumber
264264-33-7
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD05864484
Smiles
OC(=O)c1cccc(c1)n1cccn1
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB30908
ChemicalName: 3-(1H-Pyrazol-1-yl)benzoic acid
CasNumber: 264264-33-7
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD05864484
Smiles: OC(=O)c1cccc(c1)n1cccn1
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB30908
ChemicalName:
3-(1H-Pyrazol-1-yl)benzoic acid
CasNumber:
264264-33-7
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD05864484
Smiles:
OC(=O)c1cccc(c1)n1cccn1
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB30909
ChemicalName: 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber: 264264-32-6
MolecularFormula: C10H8N2O3
MolecularWeight: 204.1821
MdlNumber: MFCD06797485
Smiles: Cc1onc(n1)c1cccc(c1)C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB30909
ChemicalName:
3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber:
264264-32-6
MolecularFormula:
C10H8N2O3
MolecularWeight:
204.1821
MdlNumber:
MFCD06797485
Smiles:
Cc1onc(n1)c1cccc(c1)C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(CN1c2ccc(cc2Sc2c1ccc(c2)Br)Br)CC
Complexity: 368
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 8.3
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:
CCCCC(CN1c2ccc(cc2Sc2c1ccc(c2)Br)Br)CC
Complexity:
368
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
8.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2c(c1)c(O)cc(=O)[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2c(c1)c(O)cc(=O)[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__