Basic information
- CAS
33318-72-8- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)OCCCl)cc1- InChIKey
JNGGLEARXTXHJS-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO5S
- Average molar mass
- 265.67 g/mol
- Monoisotopic mass
- 264.9811712
Names & identifiers
- Preferred name
- 2-Chloroethyl 4-nitrobenzenesulfonate
- IUPAC
- 2-chloroethyl 4-nitrobenzenesulfonate
Names & synonyms
33318-72-8Benzenesulfonic acid, 4-nitro-, 2-chloroethyl ester2-Chloroethyl 4-nitrobenzenesulfonateCHEMBL166742DTXSID001869392-Chloroethyl 4-nitrobenzene-1-sulfonate
Database identifiers
- CAS
33318-72-8- PubChem CID
- 147446
- DTXSID
DTXSID00186939- ChEMBL
CHEMBL166742
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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