Methanesulfonic acid, bromo-, 2-chloroethyl ester
Basic information
- CAS
54114-52-2- Standard SMILES
O=S(=O)(CBr)OCCCl- InChIKey
WIHDTUIYKADSFU-UHFFFAOYSA-N- Molecular formula
- C3H6BrClO3S
- Average molar mass
- 237.5 g/mol
- Monoisotopic mass
- 235.89096
Names & identifiers
- Preferred name
- Methanesulfonic acid, bromo-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl bromomethanesulfonate
Names & synonyms
54114-52-22-chloroethyl bromomethanesulfonateMethanesulfonic acid, bromo-, 2-chloroethyl esterNSC337226CHEMBL275363DTXSID30318827NSC-337226
Database identifiers
- CAS
54114-52-2- PubChem CID
- 333683
- DTXSID
DTXSID30318827- ChEMBL
CHEMBL275363
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 149
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Related reactions
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Compound notes
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