AB65464
603-11-2 | 3-Nitrophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65464
ChemicalName
3-Nitrophthalic acid
CasNumber
603-11-2
MolecularFormula
C8H5NO6
MolecularWeight
211.1284
MdlNumber
MFCD00007138
Smiles
OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NscNumber
3120
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB65464
ChemicalName: 3-Nitrophthalic acid
CasNumber: 603-11-2
MolecularFormula: C8H5NO6
MolecularWeight: 211.1284
MdlNumber: MFCD00007138
Smiles: OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NscNumber: 3120
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB65464
ChemicalName:
3-Nitrophthalic acid
CasNumber:
603-11-2
MolecularFormula:
C8H5NO6
MolecularWeight:
211.1284
MdlNumber:
MFCD00007138
Smiles:
OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
NscNumber:
3120
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AB65465
ChemicalName: 3-Nitrophthalimide
CasNumber: 603-62-3
MolecularFormula: C8H4N2O4
MolecularWeight: 192.12836000000001
MdlNumber: MFCD00041852
Smiles: O=C1NC(=O)c2c1cccc2[N+](=O)[O-]
NscNumber: 5393
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AB65465
ChemicalName:
3-Nitrophthalimide
CasNumber:
603-62-3
MolecularFormula:
C8H4N2O4
MolecularWeight:
192.12836000000001
MdlNumber:
MFCD00041852
Smiles:
O=C1NC(=O)c2c1cccc2[N+](=O)[O-]
NscNumber:
5393
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCN(=O)=O
NscNumber: __
Complexity: 104
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCN(=O)=O
NscNumber:
__
Complexity:
104
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccnc1
NscNumber: __
Complexity: 110
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccnc1
NscNumber:
__
Complexity:
110
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6