Basic information
- Standard SMILES
O=c1ccc2c(OS(=O)(=O)C(F)(F)F)cccc2o1- InChIKey
MMHVYBQFFPHSDF-UHFFFAOYSA-N- Molecular formula
- C10H5F3O5S
- Average molar mass
- 294.21 g/mol
Names & identifiers
- Preferred name
- trifluoromethanesulfonic acid 2-oxo-2H-1-benzopyran-5-yl ester
- IUPAC
- (2-oxochromen-5-yl) trifluoromethanesulfonate
Names & synonyms
trifluoromethanesulfonic acid 2-oxo-2H-1-benzopyran-5-yl esterSCHEMBL8464810
Database identifiers
- PubChem CID
- 54079840
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 490
Related reactions
6 records
Compound notes
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