Basic information
- Standard SMILES
O=C(C=Cc1ccc(OC(F)(F)F)c(Cl)c1)c1c(O)c2ccccc2oc1=O- InChIKey
YSOKYVOHHGBCGI-UHFFFAOYSA-N- Molecular formula
- C19H10ClF3O5
- Average molar mass
- 410.7 g/mol
Names & identifiers
- Preferred name
- 4-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]1-oxo-2-propenyl]-2H-1-benzopyran-2-one
- IUPAC
- 3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]prop-2-enoyl]-4-hydroxychromen-2-one
Names & synonyms
4-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]1-oxo-2-propenyl]-2H-1-benzopyran-2-oneSCHEMBL56300744-hydroxy-3-[3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-oxo-2-propenyl]-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 76211114
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 688
Related reactions
4 records
Compound notes
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