Basic information
- Standard SMILES
Cc1cc(O)cc(OS(=O)(=O)c2ccccc2C#N)c1- InChIKey
XQXSSRWVLRSYFE-UHFFFAOYSA-N- Molecular formula
- C14H11NO4S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.04087901
Names & identifiers
- Preferred name
- 3-(2-Cyanophenylsulfonyloxy)-5-methylphenol
- IUPAC
- (3-hydroxy-5-methylphenyl) 2-cyanobenzenesulfonate
Names & synonyms
SCHEMBL5673017XQXSSRWVLRSYFE-UHFFFAOYSA-N3-(2-Cyanophenylsulfonyloxy)-5-methylphenol
Database identifiers
- PubChem CID
- 22722643
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 475
Related reactions
6 records
Compound notes
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