Basic information
- CAS
36768-57-7- Standard SMILES
O=c1cc(-c2ccc(Cl)cc2Cl)oc2ccc(Cl)cc12- InChIKey
STUGCLMHODYNAT-UHFFFAOYSA-N- Molecular formula
- C15H7Cl3O2
- Average molar mass
- 325.6 g/mol
- Monoisotopic mass
- 323.951163
Names & identifiers
- Preferred name
- 6-Chloro-2-(2,4-dichlorophenyl)-4H-1-benzopyran-4-one
- IUPAC
- 6-chloro-2-(2,4-dichlorophenyl)chromen-4-one
Names & synonyms
36768-57-76-Chloro-2-(2,4-dichlorophenyl)-4H-1-benzopyran-4-oneRefChem:3077876-chloro-2-(2,4-dichlorophenyl)-4H-chromen-4-one6-chloro-2-(2,4-dichlorophenyl)chromen-4-oneSTUGCLMHODYNAT-UHFFFAOYSA-NDTXSID101215566STK788259AKOS002182056ST41476792-(2,4-dichlorophenyl)-6-chlorochromen-4-one
Database identifiers
- CAS
36768-57-7- PubChem CID
- 930211
- DTXSID
DTXSID101215566- Nikkaji
- J442.371B
Properties
Computed structural properties
- XLogP
- 5.1
- 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
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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