AD73515
13599-22-9 | 1,5-Diphenyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD73515
ChemicalName
1,5-Diphenyl-1h-pyrazole-3-carboxylic acid
CasNumber
13599-22-9
MolecularFormula
C16H12N2O2
MolecularWeight
264.2787
MdlNumber
MFCD01427273
Smiles
OC(=O)c1cc(n(n1)c1ccccc1)c1ccccc1
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AD73515
ChemicalName: 1,5-Diphenyl-1h-pyrazole-3-carboxylic acid
CasNumber: 13599-22-9
MolecularFormula: C16H12N2O2
MolecularWeight: 264.2787
MdlNumber: MFCD01427273
Smiles: OC(=O)c1cc(n(n1)c1ccccc1)c1ccccc1
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AD73515
ChemicalName:
1,5-Diphenyl-1h-pyrazole-3-carboxylic acid
CasNumber:
13599-22-9
MolecularFormula:
C16H12N2O2
MolecularWeight:
264.2787
MdlNumber:
MFCD01427273
Smiles:
OC(=O)c1cc(n(n1)c1ccccc1)c1ccccc1
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AD73521
ChemicalName: 2-Bromo-6-fluoro-3-methylbenzoic acid
CasNumber: 1359857-60-5
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD22383777
Smiles: OC(=O)c1c(F)ccc(c1Br)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AD73521
ChemicalName:
2-Bromo-6-fluoro-3-methylbenzoic acid
CasNumber:
1359857-60-5
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD22383777
Smiles:
OC(=O)c1c(F)ccc(c1Br)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
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Smiles: [Ho+3].[H-].[H-].[H-]
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Smiles: CCn1c(=O)c(cc2c1cc(cc2)N(C)C)c1ccccc1
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Smiles:
CCn1c(=O)c(cc2c1cc(cc2)N(C)C)c1ccccc1
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HeavyAtomCount:
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