2-Chloroethyl 1-bromoethene-1-sulfonate
Basic information
- CAS
85650-06-2- Standard SMILES
C=C(Br)S(=O)(=O)OCCCl- InChIKey
QVKBYKPPSSMKIW-UHFFFAOYSA-N- Molecular formula
- C4H6BrClO3S
- Average molar mass
- 249.51 g/mol
- Monoisotopic mass
- 247.89096
Names & identifiers
- Preferred name
- 2-Chloroethyl 1-bromoethene-1-sulfonate
- IUPAC
- 2-chloroethyl 1-bromoethenesulfonate
Names & synonyms
85650-06-2NSC3307872-Chloroethyl 1-bromoethene-1-sulfonateCHEMBL17255DTXSID10318426NSC-3307871-Bromo-1-(2-chloroethoxysulfonyl)etheneDS-002771
Database identifiers
- CAS
85650-06-2- PubChem CID
- 332644
- DTXSID
DTXSID10318426- ChEMBL
CHEMBL17255
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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