Basic information
- CAS
65961-18-4- Standard SMILES
O=c1c(Cl)cc(-c2ccccc2)ccc1-c1ccccc1- InChIKey
VFCWUGMXMOTUDR-UHFFFAOYSA-N- Molecular formula
- C19H13ClO
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.0654927
Names & identifiers
- Preferred name
- 2-Chloro-4,7-diphenylcyclohepta-2,4,6-trien-1-one
- IUPAC
- 2-chloro-4,7-diphenylcyclohepta-2,4,6-trien-1-one
Names & synonyms
2-Chloro-4,7-diphenylcyclohepta-2,4,6-trien-1-one65961-18-4DTXSID80494983
Database identifiers
- CAS
65961-18-4- PubChem CID
- 12374074
- DTXSID
DTXSID80494983
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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