Basic information
- Standard SMILES
Cc1cc(O)cc(OS(=O)(=O)c2ccccc2Cl)c1- InChIKey
IYGMCDMURWZLNR-UHFFFAOYSA-N- Molecular formula
- C13H11ClO4S
- Average molar mass
- 298.74 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chlorophenylsulfonyloxy)-5-methylphenol
- IUPAC
- (3-hydroxy-5-methylphenyl) 2-chlorobenzenesulfonate
Names & synonyms
SCHEMBL5676119IYGMCDMURWZLNR-UHFFFAOYSA-N3-(2-Chlorophenylsulfonyloxy)-5-methylphenol2-chlorobenzenesulfonic acid 3-hydroxy-5-methylphenyl ester
Database identifiers
- PubChem CID
- 11277947
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
26 records
Compound notes
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