AG17472
4598-86-1 | 1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG17472
ChemicalName
1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid
CasNumber
4598-86-1
MolecularFormula
C5H5N3O4
MolecularWeight
171.1109
MdlNumber
MFCD00464004
Smiles
Cn1nc(c(c1)[N+](=O)[O-])C(=O)O
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AG17472
ChemicalName: 1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid
CasNumber: 4598-86-1
MolecularFormula: C5H5N3O4
MolecularWeight: 171.1109
MdlNumber: MFCD00464004
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)O
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AG17472
ChemicalName:
1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid
CasNumber:
4598-86-1
MolecularFormula:
C5H5N3O4
MolecularWeight:
171.1109
MdlNumber:
MFCD00464004
Smiles:
Cn1nc(c(c1)[N+](=O)[O-])C(=O)O
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1
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Smiles: COc1ccccc1c1nc(nc(c1)C(F)(F)F)S(=O)(=O)CCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccccc1c1nc(nc(c1)C(F)(F)F)S(=O)(=O)CCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)c1nc2c(o1)ccc(c2)N
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Smiles:
COc1ccc(cc1)c1nc2c(o1)ccc(c2)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc(cc1COc1ccc(cc1)OC)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1COc1ccc(cc1)OC)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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