AG23156
5334-38-3 | 3-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG23156
ChemicalName
3-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CasNumber
5334-38-3
MolecularFormula
C5H5N3O4
MolecularWeight
171.1109
MdlNumber
MFCD00458002
Smiles
[O-][N+](=O)c1c(C)n[nH]c1C(=O)O
NscNumber
1409
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AG23156
ChemicalName: 3-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CasNumber: 5334-38-3
MolecularFormula: C5H5N3O4
MolecularWeight: 171.1109
MdlNumber: MFCD00458002
Smiles: [O-][N+](=O)c1c(C)n[nH]c1C(=O)O
NscNumber: 1409
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AG23156
ChemicalName:
3-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CasNumber:
5334-38-3
MolecularFormula:
C5H5N3O4
MolecularWeight:
171.1109
MdlNumber:
MFCD00458002
Smiles:
[O-][N+](=O)c1c(C)n[nH]c1C(=O)O
NscNumber:
1409
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
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Smiles: Clc1ccccc1Cn1cc(ccc1=O)C(=O)O
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccccc1Cn1cc(ccc1=O)C(=O)O
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Smiles: Clc1cccc(c1)n1cncc1
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Smiles:
Clc1cccc(c1)n1cncc1
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cn1ncc(c(c1=O)Cl)SCc1ccco1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cn1ncc(c(c1=O)Cl)SCc1ccco1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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