2-Acetamido-5-nitrobenzenesulphonic acid
Basic information
- CAS
58534-23-9- Standard SMILES
CC(=O)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O- InChIKey
JPLLWZUYSWNRLC-UHFFFAOYSA-N- Molecular formula
- C8H8N2O6S
- Average molar mass
- 260.23 g/mol
- Monoisotopic mass
- 260.01030715
Names & identifiers
- Preferred name
- 2-Acetamido-5-nitrobenzenesulphonic acid
- IUPAC
- 2-acetamido-5-nitrobenzenesulfonic acid
- English name
- 2-acetamido-5-nitrobenzenesulphonic acid
- Molecular formula
- C8H8N2O6S
- Molecular weight
- 260.22
Names & synonyms
2-Acetamido-5-nitrobenzenesulphonic acid58534-23-9EINECS 261-311-72-acetamido-5-nitrobenzene-1-sulfonic acidDTXSID20207251JPLLWZUYSWNRLC-UHFFFAOYSA-NDB-313450NS00033947Benzenesulfonic acid, 2-(acetylamino)-5-nitro-2-Acetylamino-5-nitrobenzenesulfonic acid
Database identifiers
- CAS
58534-23-9- PubChem CID
- 94096
- DTXSID
DTXSID20207251- EC Number
- 261-311-7
- Nikkaji
- J30.521I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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