Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(Cl)c(C)cc2OC1C(F)(F)F- InChIKey
PAESBVQKTXOCTR-UHFFFAOYSA-N- Molecular formula
- C14H12ClF3O3
- Average molar mass
- 320.69 g/mol
Names & identifiers
- Preferred name
- ethyl 6-chloro-7-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate
- IUPAC
- ethyl 6-chloro-7-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Names & synonyms
ethyl 6-chloro-7-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylateSCHEMBL5646085
Database identifiers
- PubChem CID
- 69517618
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
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