Basic information
- CAS
13179-01-6- Standard SMILES
Cc1cc(C(=O)c2ccccc2)c2oc(=O)c(Cl)c(Cl)c2c1- InChIKey
IEWYKVVZNJHTEE-UHFFFAOYSA-N- Molecular formula
- C17H10Cl2O3
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.0006996
Names & identifiers
- Preferred name
- 8-Benzoyl-3,4-dichloro-6-methyl-2h-chromen-2-one
- IUPAC
- 8-benzoyl-3,4-dichloro-6-methylchromen-2-one
Names & synonyms
13179-01-68-benzoyl-3,4-dichloro-6-methyl-2h-chromen-2-oneNSC97656DTXSID50294694NSC-976568-Benzoyl-3,4-dichloro-6-methyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
13179-01-6- PubChem CID
- 263272
- DTXSID
DTXSID50294694
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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