Basic information
- CAS
217453-46-8- Standard SMILES
CCOC(=O)c1cccc(S(=O)(=O)Cl)c1- InChIKey
OQBZLUKCZKZQFV-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4S
- Average molar mass
- 248.68 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(chlorosulfonyl)benzoate
- IUPAC
- ethyl 3-chlorosulfonylbenzoate
- English name
- ethyl 3-(chlorosulfonyl)benzoate
- Molecular formula
- C9H9ClO4S
- Molecular weight
- 248.68
Names & synonyms
ethyl 3-(chlorosulfonyl)benzoate217453-46-8ethyl 3-chlorosulfonylbenzoateMFCD09812012SCHEMBL397968ethyl3-(chlorosulfonyl)benzoateOQBZLUKCZKZQFV-UHFFFAOYSA-NSIA45346AKOS000164835DA-08144NS-03665SY169026
Show more names
Benzoic acid, 3-(chlorosulfonyl)-, ethyl ester
ST45242512EN300-29869G25602
Database identifiers
- CAS
217453-46-8- PubChem CID
- 19790734
- EC Number
- 191-334-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 357.3 · 357.3±25.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
16 records
Compound notes
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