Chlorophenyl 2-nitrobenzenesulphonate
Basic information
- CAS
94088-67-2- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1Cl- InChIKey
XSSJOUMWWSBEKI-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO5S
- Average molar mass
- 313.71 g/mol
- Monoisotopic mass
- 312.9811712
Names & identifiers
- Preferred name
- Chlorophenyl 2-nitrobenzenesulphonate
- IUPAC
- (2-chlorophenyl) 2-nitrobenzenesulfonate
- English name
- chlorophenyl 2-nitrobenzenesulphonate
- Molecular formula
- C12H8ClNO5S
- Molecular weight
- 313.71362
Names & synonyms
94088-67-2Chlorophenyl 2-nitrobenzenesulphonate(2-chlorophenyl) 2-nitrobenzenesulfonate2-CHLOROPHENYL 2-NITROBENZENESULFONATECHLOROPHENYL 2-NITROBENZENESULFONATE2-Chlorophenyl 2-nitrobenzene-1-sulfonateDTXSID20916518XSSJOUMWWSBEKI-UHFFFAOYSA-NAKOS040695491NS000644062-Nitrobenzenesulfonic acid 2-chlorophenyl ester
Database identifiers
- CAS
94088-67-2- PubChem CID
- 6366406
- DTXSID
DTXSID20916518- EC Number
- 302-069-5
- Nikkaji
- J62.907C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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