2-Chloroethyl 2-methylbenzenesulphonate
Basic information
- CAS
97721-72-7- Standard SMILES
Cc1ccccc1S(=O)(=O)OCCCl- InChIKey
HMIYUOHGRSXXEB-UHFFFAOYSA-N- Molecular formula
- C9H11ClO3S
- Average molar mass
- 234.7 g/mol
- Monoisotopic mass
- 234.0117431
Names & identifiers
- Preferred name
- 2-Chloroethyl 2-methylbenzenesulphonate
- IUPAC
- 2-chloroethyl 2-methylbenzenesulfonate
- English name
- 2-chloroethyl 2-methylbenzenesulphonate
- Molecular formula
- C9H11ClO3S
- Molecular weight
- 234.7
Names & synonyms
2-Chloroethyl 2-methylbenzenesulphonate97721-72-7EINECS 307-718-62-chloroethyl 2-methylbenzene-1-sulfonatebeta-chloroethyltoluenesulfonateSCHEMBL2762565DTXSID60243214NS000656232-chloroethyl o-toluenesulfonate2-Chloroethyl 2-methylbenzenesulfonate2-Methylbenzenesulfonic acid 2-chloroethyl esterBenzenesulfonic acid, 2-methyl-, 2-chloroethyl ester
Database identifiers
- CAS
97721-72-7- PubChem CID
- 113449
- DTXSID
DTXSID60243214- EC Number
- 307-718-6
- Nikkaji
- J318.137E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
2 records
Compound notes
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