Basic information
- CAS
88953-02-0- Standard SMILES
Cc1cc(Cl)cc2c(=O)cc(-c3ccccc3Cl)oc12- InChIKey
BMJLJSBOYXEACJ-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2O2
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0057849
Names & identifiers
- Preferred name
- 6-Chloro-2-(2-chlorophenyl)-8-methyl-4H-1-benzopyran-4-one
- IUPAC
- 6-chloro-2-(2-chlorophenyl)-8-methylchromen-4-one
Names & synonyms
88953-02-06-Chloro-2-(2-chlorophenyl)-8-methyl-4H-chromen-4-oneCHEMBL2234630DTXSID505260636-Chloro-2-(2-chlorophenyl)-8-methyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
88953-02-0- PubChem CID
- 13190890
- DTXSID
DTXSID50526063- ChEMBL
CHEMBL2234630
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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