CID 292876
Basic information
- CAS
125041-90-9- Standard SMILES
O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1- InChIKey
XPUCGDUSZRAVLO-UHFFFAOYSA-N- Molecular formula
- C15H9Cl3O
- Average molar mass
- 311.6 g/mol
- Monoisotopic mass
- 309.971898
Names & identifiers
- Preferred name
- CID 292876
- IUPAC
- 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
Names & synonyms
125041-90-91-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-oneSCHEMBL1225524DTXSID40303562
Database identifiers
- CAS
125041-90-9- PubChem CID
- 292876
- DTXSID
DTXSID40303562
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…