AG76700
618101-88-5 | 1-(4-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG76700
ChemicalName
1-(4-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CasNumber
618101-88-5
MolecularFormula
C11H9BrN2O2
MolecularWeight
281.1054
MdlNumber
MFCD05150586
Smiles
Brc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AG76700
ChemicalName: 1-(4-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CasNumber: 618101-88-5
MolecularFormula: C11H9BrN2O2
MolecularWeight: 281.1054
MdlNumber: MFCD05150586
Smiles: Brc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AG76700
ChemicalName:
1-(4-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CasNumber:
618101-88-5
MolecularFormula:
C11H9BrN2O2
MolecularWeight:
281.1054
MdlNumber:
MFCD05150586
Smiles:
Brc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
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Smiles: CC(Pc1ccccc1)(C)C
Complexity: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(Pc1ccccc1)(C)C
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RotatableBondCount:
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Smiles: OC(=O)C1CCN(C1=O)c1cccc(c1)C
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Smiles:
OC(=O)C1CCN(C1=O)c1cccc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: ClCCC(=O)N1CCc2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClCCC(=O)N1CCc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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