Basic information
- CAS
17306-04-6- Standard SMILES
O=C(C=CCl)c1ccc(Br)cc1- InChIKey
RXPBSMJSLNBUBZ-UHFFFAOYSA-N- Molecular formula
- C9H6BrClO
- Average molar mass
- 245.5 g/mol
- Monoisotopic mass
- 243.92906
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-chloroprop-2-en-1-one
- IUPAC
- 1-(4-bromophenyl)-3-chloroprop-2-en-1-one
Names & synonyms
C9H6BrClOCBiol_0006751-(4-bromophenyl)-3-chloroprop-2-en-1-oneSCHEMBL4738896DTXSID201270460ICCB3_0003231-(4-Bromophenyl)-3-chloro-2-propen-1-one
Database identifiers
- CAS
17306-04-6- PubChem CID
- 28462
- DTXSID
DTXSID201270460
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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