AB07949
198348-89-9 | 3-Nitro-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB07949
ChemicalName
3-Nitro-1H-pyrazole-5-carboxylic acid
CasNumber
198348-89-9
MolecularFormula
C4H3N3O4
MolecularWeight
157.0843
MdlNumber
MFCD00192356
Smiles
[O-][N+](=O)c1[nH]nc(c1)C(=O)O
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB07949
ChemicalName: 3-Nitro-1H-pyrazole-5-carboxylic acid
CasNumber: 198348-89-9
MolecularFormula: C4H3N3O4
MolecularWeight: 157.0843
MdlNumber: MFCD00192356
Smiles: [O-][N+](=O)c1[nH]nc(c1)C(=O)O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB07949
ChemicalName:
3-Nitro-1H-pyrazole-5-carboxylic acid
CasNumber:
198348-89-9
MolecularFormula:
C4H3N3O4
MolecularWeight:
157.0843
MdlNumber:
MFCD00192356
Smiles:
[O-][N+](=O)c1[nH]nc(c1)C(=O)O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1cncc(c1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
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:
COc1ccc(cc1)c1cncc(c1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCOc2c1cc(cc2)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCOc2c1cc(cc2)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__