AC85561
92534-69-5 | 1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC85561
ChemicalName
1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CasNumber
92534-69-5
MolecularFormula
C5H5N3O4
MolecularWeight
171.1109
MdlNumber
MFCD00222738
Smiles
[O-][N+](=O)c1cnn(c1C(=O)O)C
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AC85561
ChemicalName: 1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CasNumber: 92534-69-5
MolecularFormula: C5H5N3O4
MolecularWeight: 171.1109
MdlNumber: MFCD00222738
Smiles: [O-][N+](=O)c1cnn(c1C(=O)O)C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AC85561
ChemicalName:
1-Methyl-4-nitro-1h-pyrazole-5-carboxylic acid
CasNumber:
92534-69-5
MolecularFormula:
C5H5N3O4
MolecularWeight:
171.1109
MdlNumber:
MFCD00222738
Smiles:
[O-][N+](=O)c1cnn(c1C(=O)O)C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCSCc1c[nH]c(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCCSCc1c[nH]c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Oc1ccc2c(c1)c(c[nH]2)c1ncc(cn1)c1c[nH]c2c1cc(O)cc2
Complexity: __
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Smiles:
Oc1ccc2c(c1)c(c[nH]2)c1ncc(cn1)c1c[nH]c2c1cc(O)cc2
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1cccc2c1nc(cc2Cl)C(Cl)(Cl)Cl
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:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cccc2c1nc(cc2Cl)C(Cl)(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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