Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(C=O)ccc2OC1C(F)(F)F- InChIKey
FMBKNZRDFKOREA-UHFFFAOYSA-N- Molecular formula
- C14H11F3O4
- Average molar mass
- 300.23 g/mol
Names & identifiers
- Preferred name
- ethyl 6-formyl-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 6-formyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 6-formyl-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylateSCHEMBL5648875ethyl 6-formyl-2-(trifluoromethyl)-2H-1 -benzopyran-3-carboxylate
Database identifiers
- PubChem CID
- 21883688
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Related reactions
10 records
Compound notes
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