Basic information
- CAS
140439-36-7- Standard SMILES
O=c1cc(-c2ccc(Cl)cc2)oc2ccc(O)cc12- InChIKey
CTEQJZCEPVFKAZ-UHFFFAOYSA-N- Molecular formula
- C15H9ClO3
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.0240218
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-6-hydroxy-4H-1-benzopyran-4-one
- IUPAC
- 2-(4-chlorophenyl)-6-hydroxychromen-4-one
Names & synonyms
140439-36-72-(4-Chlorophenyl)-6-hydroxy-4H-1-benzopyran-4-oneRefChem:2522362-(4-CHLOROPHENYL)-6-HYDROXY-4H-CHROMEN-4-ONE2-(4-chlorophenyl)-6-hydroxychromen-4-one6-hydroxy-4'-chloroflavoneDTXSID001230258AKOS002353187MB03596ST50402229
Database identifiers
- CAS
140439-36-7- PubChem CID
- 735035
- DTXSID
DTXSID001230258
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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