Basic information
- Standard SMILES
COc1c(OS(=O)(=O)C(F)(F)F)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12- InChIKey
XNTTUGPIMYHLGF-UHFFFAOYSA-N- Molecular formula
- C20H16ClF3O6S
- Average molar mass
- 476.9 g/mol
Names & identifiers
- Preferred name
- Trifluoromethanesulfonic acid 3-(4-chlorophenyl)-2-isopropyl-8-methoxy-4-oxo-4H-chromen-7-yl ester
- IUPAC
- [3-(4-chlorophenyl)-8-methoxy-4-oxo-2-propan-2-ylchromen-7-yl] trifluoromethanesulfonate
Names & synonyms
Trifluoromethanesulfonic acid 3-(4-chlorophenyl)-2-isopropyl-8-methoxy-4-oxo-4H-chromen-7-yl esterSCHEMBL3587585
Database identifiers
- PubChem CID
- 86625609
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 812
Related reactions
4 records
Compound notes
Loading…