Basic information
- CAS
213894-66-7- Standard SMILES
O=c1cc(-c2ccccc2F)oc2ccc(Cl)cc12- InChIKey
QCSFXCHHKYXLHE-UHFFFAOYSA-N- Molecular formula
- C15H8ClFO2
- Average molar mass
- 274.67 g/mol
- Monoisotopic mass
- 274.0196853
Names & identifiers
- Preferred name
- 6-chloro-2-(2-fluorophenyl)-4H-chromen-4-one
- IUPAC
- 6-chloro-2-(2-fluorophenyl)chromen-4-one
Names & synonyms
6-chloro-2-(2-fluorophenyl)-4H-chromen-4-one213894-66-76-chloro-2-(2-fluorophenyl)chromen-4-one6-Chloro-2-(2-fluorophenyl)-4H-1-benzopyran-4-oneCHEMBL56398DTXSID801232434STK888584AKOS002181993MB02921ST500708424H-1-Benzopyran-4-one, 6-chloro-2-(2-fluorophenyl)-F3139-0619
Database identifiers
- CAS
213894-66-7- PubChem CID
- 930600
- DTXSID
DTXSID801232434- ChEMBL
CHEMBL56398- Nikkaji
- J1.564.736A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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