Basic information
- CAS
71501-32-1- Standard SMILES
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[O-])c1.[Na+]- InChIKey
GQZBJDARSGYLNM-UHFFFAOYSA-M- Molecular formula
- C7H5ClNNaO5S
- Average molar mass
- 273.63 g/mol
- Monoisotopic mass
- 272.9474654
Names & identifiers
- Preferred name
- Sodium 2-chloro-5-methyl-3-nitrobenzene-1-sulfonate
- IUPAC
- sodium 2-chloro-5-methyl-3-nitrobenzenesulfonate
Names & synonyms
DTXSID40991968Sodium 2-chloro-5-methyl-3-nitrobenzene-1-sulfonate
Database identifiers
- CAS
71501-32-1- PubChem CID
- 23713640
- DTXSID
DTXSID40991968- Nikkaji
- J289.185I
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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