AA88071
16533-71-4 | 4-Methyl-3,5-dinitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88071
ChemicalName
4-Methyl-3,5-dinitrobenzoic acid
CasNumber
16533-71-4
MolecularFormula
C8H6N2O6
MolecularWeight
226.143
MdlNumber
MFCD00007175
Smiles
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O
NscNumber
5589
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AA88071
ChemicalName: 4-Methyl-3,5-dinitrobenzoic acid
CasNumber: 16533-71-4
MolecularFormula: C8H6N2O6
MolecularWeight: 226.143
MdlNumber: MFCD00007175
Smiles: [O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O
NscNumber: 5589
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AA88071
ChemicalName:
4-Methyl-3,5-dinitrobenzoic acid
CasNumber:
16533-71-4
MolecularFormula:
C8H6N2O6
MolecularWeight:
226.143
MdlNumber:
MFCD00007175
Smiles:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O
NscNumber:
5589
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCCOc1cccc(c1)O
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCOc1cccc(c1)O
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1C(=O)O)C(=O)OCC
NscNumber: __
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:
__
MdlNumber:
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Smiles:
[O-][N+](=O)c1cccc(c1C(=O)O)C(=O)OCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCC1CCCC1=NO
NscNumber: __
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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Smiles:
CCCCCCCC1CCCC1=NO
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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