AA46468
131971-24-9 | 2-[(4-Hydroxy-3-nitrobenzene)sulfonamido]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA46468
ChemicalName
2-[(4-Hydroxy-3-nitrobenzene)sulfonamido]benzoic acid
CasNumber
131971-24-9
MolecularFormula
C13H10N2O7S
MolecularWeight
338.2927
MdlNumber
MFCD02708220
Smiles
[O-][N+](=O)c1cc(ccc1O)S(=O)(=O)Nc1ccccc1C(=O)O
Complexity
554
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AA46468
ChemicalName: 2-[(4-Hydroxy-3-nitrobenzene)sulfonamido]benzoic acid
CasNumber: 131971-24-9
MolecularFormula: C13H10N2O7S
MolecularWeight: 338.2927
MdlNumber: MFCD02708220
Smiles: [O-][N+](=O)c1cc(ccc1O)S(=O)(=O)Nc1ccccc1C(=O)O
Complexity: 554
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AA46468
ChemicalName:
2-[(4-Hydroxy-3-nitrobenzene)sulfonamido]benzoic acid
CasNumber:
131971-24-9
MolecularFormula:
C13H10N2O7S
MolecularWeight:
338.2927
MdlNumber:
MFCD02708220
Smiles:
[O-][N+](=O)c1cc(ccc1O)S(=O)(=O)Nc1ccccc1C(=O)O
Complexity:
554
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1c(C(=O)OCC)c(n(c1C)CCCCCCn1c(C)c(c(c1C)C(=O)OCC)C(=O)OCC)C
Complexity: __
Covalently-bondedUnitCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)c1c(C(=O)OCC)c(n(c1C)CCCCCCn1c(C)c(c(c1C)C(=O)OCC)C(=O)OCC)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(C(=O)OCC)c(n(c1C)C(n1c(C)c(c(c1C)C(=O)OCC)C(=O)OCC)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1c(C(=O)OCC)c(n(c1C)C(n1c(C)c(c(c1C)C(=O)OCC)C(=O)OCC)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: COc1ccc(cc1)c1oc2cc(OC)ccc2c(=O)c1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1oc2cc(OC)ccc2c(=O)c1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__