AF62486
29400-84-8 | 4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF62486
ChemicalName
4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid
CasNumber
29400-84-8
MolecularFormula
C5H5ClN2O2
MolecularWeight
160.5584
MdlNumber
MFCD16044442
Smiles
OC(=O)c1n[nH]c(c1Cl)C
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AF62486
ChemicalName: 4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid
CasNumber: 29400-84-8
MolecularFormula: C5H5ClN2O2
MolecularWeight: 160.5584
MdlNumber: MFCD16044442
Smiles: OC(=O)c1n[nH]c(c1Cl)C
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AF62486
ChemicalName:
4-Chloro-5-methyl-1h-pyrazole-3-carboxylic acid
CasNumber:
29400-84-8
MolecularFormula:
C5H5ClN2O2
MolecularWeight:
160.5584
MdlNumber:
MFCD16044442
Smiles:
OC(=O)c1n[nH]c(c1Cl)C
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCSCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCSCCC(=O)O
Complexity:
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RotatableBondCount:
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__
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Smiles: Nc1sc2c(n1)CCCCCC2
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Smiles:
Nc1sc2c(n1)CCCCCC2
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Fc1cc(F)c2c(c1)nc(cc2N)C
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ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
Fc1cc(F)c2c(c1)nc(cc2N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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