Ethyl 2-(chlorosulfonyl)-6-methylbenzoate
Basic information
- CAS
133742-97-9- Standard SMILES
CCOC(=O)c1c(C)cccc1S(=O)(=O)Cl- InChIKey
YIUMLILLUMQKHK-UHFFFAOYSA-N- Molecular formula
- C10H11ClO4S
- Average molar mass
- 262.71 g/mol
- Monoisotopic mass
- 262.0066577
Names & identifiers
- Preferred name
- Ethyl 2-(chlorosulfonyl)-6-methylbenzoate
- IUPAC
- ethyl 2-chlorosulfonyl-6-methylbenzoate
Names & synonyms
133742-97-9Ethyl 2-(chlorosulfonyl)-6-methylbenzoateSCHEMBL7291560DTXSID10711857
Database identifiers
- CAS
133742-97-9- PubChem CID
- 54510552
- DTXSID
DTXSID10711857
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
- 16
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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