AH13541
7221-27-4 | 4-Amino-3,5-dinitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH13541
ChemicalName
4-Amino-3,5-dinitrobenzoic acid
CasNumber
7221-27-4
MolecularFormula
C7H5N3O6
MolecularWeight
227.1311
MdlNumber
MFCD00017010
Smiles
[O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(=O)O
NscNumber
127017
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AH13541
ChemicalName: 4-Amino-3,5-dinitrobenzoic acid
CasNumber: 7221-27-4
MolecularFormula: C7H5N3O6
MolecularWeight: 227.1311
MdlNumber: MFCD00017010
Smiles: [O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(=O)O
NscNumber: 127017
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AH13541
ChemicalName:
4-Amino-3,5-dinitrobenzoic acid
CasNumber:
7221-27-4
MolecularFormula:
C7H5N3O6
MolecularWeight:
227.1311
MdlNumber:
MFCD00017010
Smiles:
[O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(=O)O
NscNumber:
127017
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
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Smiles: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Oc1ccc(cc1)C=CC(=O)c1c(O)cc(cc1O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1ccc(cc1)C=CC(=O)c1c(O)cc(cc1O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2O)O)O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__