AG23512
46413-67-6 | 5-(4-Methylphenyl)-2H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG23512
ChemicalName
5-(4-Methylphenyl)-2H-pyrazole-3-carboxylic acid
CasNumber
46413-67-6
MolecularFormula
C11H10N2O2
MolecularWeight
202.2093
MdlNumber
MFCD04209141
Smiles
Cc1ccc(cc1)c1[nH]nc(c1)C(=O)O
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AG23512
ChemicalName: 5-(4-Methylphenyl)-2H-pyrazole-3-carboxylic acid
CasNumber: 46413-67-6
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD04209141
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)C(=O)O
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AG23512
ChemicalName:
5-(4-Methylphenyl)-2H-pyrazole-3-carboxylic acid
CasNumber:
46413-67-6
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD04209141
Smiles:
Cc1ccc(cc1)c1[nH]nc(c1)C(=O)O
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: O=Cc1nc2c(n1Cc1ccccc1Cl)cccc2
Complexity: __
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Smiles:
O=Cc1nc2c(n1Cc1ccccc1Cl)cccc2
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Smiles: CCC(Oc1ccccc1N)C
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Smiles:
CCC(Oc1ccccc1N)C
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(c1cccc(c1N1C=CN([C-2]1=[Pd+4]1([Cl-])[Cl-][Pd+4](=[C-2]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([Cl-]1)[Cl-])c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
CC(c1cccc(c1N1C=CN([C-2]1=[Pd+4]1([Cl-])[Cl-][Pd+4](=[C-2]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([Cl-]1)[Cl-])c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__