AB68118
4315-09-7 | 4-Nitroisophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68118
ChemicalName
4-Nitroisophthalic acid
CasNumber
4315-09-7
MolecularFormula
C8H5NO6
MolecularWeight
211.12840000000003
MdlNumber
MFCD00096224
Smiles
OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB68118
ChemicalName: 4-Nitroisophthalic acid
CasNumber: 4315-09-7
MolecularFormula: C8H5NO6
MolecularWeight: 211.12840000000003
MdlNumber: MFCD00096224
Smiles: OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB68118
ChemicalName:
4-Nitroisophthalic acid
CasNumber:
4315-09-7
MolecularFormula:
C8H5NO6
MolecularWeight:
211.12840000000003
MdlNumber:
MFCD00096224
Smiles:
OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCNCc1ccc(cc1)[N+](=O)[O-].Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCNCc1ccc(cc1)[N+](=O)[O-].Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][n+]1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][n+]1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1N(c2ccccc2)C(=O)c2c1cc(cc2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1N(c2ccccc2)C(=O)c2c1cc(cc2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__