4-Phenyl-7-trifluoromethanesulfonyloxycoumarin
Basic information
- Standard SMILES
O=c1cc(-c2ccccc2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2o1- InChIKey
YCSYQABWJDAPTN-UHFFFAOYSA-N- Molecular formula
- C16H9F3O5S
- Average molar mass
- 370.3 g/mol
Names & identifiers
- Preferred name
- 4-Phenyl-7-trifluoromethanesulfonyloxycoumarin
- IUPAC
- (2-oxo-4-phenylchromen-7-yl) trifluoromethanesulfonate
Names & synonyms
4-Phenyl-7-trifluoromethanesulfonyloxycoumarinSCHEMBL9262604
Database identifiers
- PubChem CID
- 15780554
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 644
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Related reactions
2 records
Compound notes
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