Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2C=Cc3ccc(F)c(-c4ccccc4Cl)c3O2)cc1- InChIKey
JJPADSOWSBYBLN-QGZVFWFLSA-N- Molecular formula
- C23H18ClFO4S
- Average molar mass
- 444.9 g/mol
Names & identifiers
- Preferred name
- ((2R)-8-(2-chlorophenyl)-7-fluoro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate
- IUPAC
- [(2R)-8-(2-chlorophenyl)-7-fluoro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL4621425JJPADSOWSBYBLN-QGZVFWFLSA-N((2R)-8-(2-chlorophenyl)-7-fluoro-2H-chromen-2-yl)methyl 4-methylbenzene-sulfonate((2R)-8-(2-chlorophenyl)-7-fluoro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86609141
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Related reactions
2 records
Compound notes
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