AF58112
321309-43-7 | 2-(3,5-Dimethyl-1h-pyrazol-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF58112
ChemicalName
2-(3,5-Dimethyl-1h-pyrazol-4-yl)benzoic acid
CasNumber
321309-43-7
MolecularFormula
C12H12N2O2
MolecularWeight
216.2359
MdlNumber
MFCD02682016
Smiles
OC(=O)c1ccccc1c1c(C)n[nH]c1C
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AF58112
ChemicalName: 2-(3,5-Dimethyl-1h-pyrazol-4-yl)benzoic acid
CasNumber: 321309-43-7
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD02682016
Smiles: OC(=O)c1ccccc1c1c(C)n[nH]c1C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AF58112
ChemicalName:
2-(3,5-Dimethyl-1h-pyrazol-4-yl)benzoic acid
CasNumber:
321309-43-7
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD02682016
Smiles:
OC(=O)c1ccccc1c1c(C)n[nH]c1C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1csc(n1)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 430
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1csc(n1)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
430
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ccccc1N1CCNCC1
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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Smiles:
CCc1ccccc1N1CCNCC1
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__