AA18116
1173246-76-8 | 5-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA18116
ChemicalName
5-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
CasNumber
1173246-76-8
MolecularFormula
C5H5ClN2O2
MolecularWeight
160.5584
MdlNumber
MFCD00106211
Smiles
Cn1nc(cc1Cl)C(=O)O
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA18116
ChemicalName: 5-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
CasNumber: 1173246-76-8
MolecularFormula: C5H5ClN2O2
MolecularWeight: 160.5584
MdlNumber: MFCD00106211
Smiles: Cn1nc(cc1Cl)C(=O)O
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA18116
ChemicalName:
5-Chloro-1-methyl-1h-pyrazole-3-carboxylic acid
CasNumber:
1173246-76-8
MolecularFormula:
C5H5ClN2O2
MolecularWeight:
160.5584
MdlNumber:
MFCD00106211
Smiles:
Cn1nc(cc1Cl)C(=O)O
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CS(=O)(=O)O.O=C(N[C@]12CCC(=O)[C@H]3[C@]42CCN([C@@H]1Cc1c4c(O3)c(cc1)O)CC1CC1)C=Cc1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CS(=O)(=O)O.O=C(N[C@]12CCC(=O)[C@H]3[C@]42CCN([C@@H]1Cc1c4c(O3)c(cc1)O)CC1CC1)C=Cc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Clc1c[nH]c2c1c(Cl)ncc2
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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Smiles:
Clc1c[nH]c2c1c(Cl)ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1c[nH]c2c1c(=O)[nH]cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1c[nH]c2c1c(=O)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__