Basic information
- CAS
315233-84-2- Standard SMILES
COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C- InChIKey
BKZCTYKIGSVIDR-UHFFFAOYSA-N- Molecular formula
- C18H13F3O3
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.08167876
Names & identifiers
- Preferred name
- 7-methoxy-8-methyl-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
- IUPAC
- 7-methoxy-8-methyl-3-phenyl-2-(trifluoromethyl)chromen-4-one
- English name
- 7-Methoxy-8-methyl-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
- Molecular formula
- C18H13F3O3
- Molecular weight
- 334.29
Names & synonyms
7-methoxy-8-methyl-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-oneAKOS001631537UNM000003533901SR-01000444017SR-01000444017-17-methoxy-8-methyl-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 7-methoxy-8-methyl-3-phenyl-2-(trifluoromethyl)-
Database identifiers
- CAS
315233-84-2- PubChem CID
- 746445
- EC Number
- 126-608-7
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Boiling point
- 405.539 · 405.539±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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