Basic information
- CAS
88952-83-4- Standard SMILES
Cc1ccccc1-c1cc(=O)c2cc(Cl)cc(C)c2o1- InChIKey
YOPGLEJUERANGM-UHFFFAOYSA-N- Molecular formula
- C17H13ClO2
- Average molar mass
- 284.7 g/mol
- Monoisotopic mass
- 284.0604073
Names & identifiers
- Preferred name
- 6-Chloro-8-methyl-2-(2-methylphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 6-chloro-8-methyl-2-(2-methylphenyl)chromen-4-one
Names & synonyms
88952-83-46-Chloro-8-methyl-2-(o-tolyl)-4H-chromen-4-one6-chloro-8-methyl-2-(2-methylphenyl)-4H-chromen-4-oneDTXSID405260526-Chloro-8-methyl-2-(2-methylphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
88952-83-4- PubChem CID
- 13190879
- DTXSID
DTXSID40526052
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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