Basic information
- CAS
302952-92-7- Standard SMILES
CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc2c1- InChIKey
YQKMKYDPBVWQCA-UHFFFAOYSA-N- Molecular formula
- C20H15F3O7
- Average molar mass
- 424.3 g/mol
Names & identifiers
- Preferred name
- ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate
- IUPAC
- ethyl [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] carbonate
- English name
- ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonate
- Molecular formula
- C20H15F3O7
- Molecular weight
- 424.32
Names & synonyms
ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl carbonateCBMicro_047092ChemDiv1_010259HMS616C07AKOS001673664ethyl [3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] carbonateCCG-112187BIM-0047156.P001ST50189086UNM000000640701AF-399/14183241SR-01000495548
Show more names
Carbonic acid, ethyl 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl ester
SR-01000495548-13-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl ethoxyformateethyl (3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl) carbonate302952-92-7
Database identifiers
- CAS
302952-92-7
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 466.2 · 466.2±45.0 °C(Predicted)
- Density
- 1.413 · 1.413±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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