3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
Basic information
- CAS
103440-01-3- Standard SMILES
O=C(O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1- InChIKey
QWPVRAYCNKUIMJ-UHFFFAOYSA-N- Molecular formula
- C14H10N2O8S
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 366.01578646
Names & identifiers
- Preferred name
- 3-Nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
- IUPAC
- 3-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acid
Names & synonyms
NSC6352093-nitro-4-[(4-nitrophenyl)sulfonylmethyl]benzoic acidDTXSID901034635NSC-635209103440-01-33-Nitro-4[[(4-nitrophenyl)sulfonyl]methyl]benzoic acid3-(Hydroxy(oxido)amino)-4-(((4-(hydroxy(oxido)amino)phenyl)sulfonyl)methyl)benzoic acid
Database identifiers
- CAS
103440-01-3- PubChem CID
- 366583
- DTXSID
DTXSID901034635
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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