Basic information
- CAS
72036-54-5- Standard SMILES
CC1(C)CC(=O)C=C(c2ccc(Br)cc2)C1- InChIKey
JISPPFBRAMZBSM-UHFFFAOYSA-N- Molecular formula
- C14H15BrO
- Average molar mass
- 279.17 g/mol
- Monoisotopic mass
- 278.03063
Names & identifiers
- Preferred name
- 5,5-Dimethyl-3-(4-bromophenyl)cyclohex-2-en-1-one
- IUPAC
- 3-(4-bromophenyl)-5,5-dimethylcyclohex-2-en-1-one
- English name
- 5,5-Dimethyl-3-(4-bromophenyl)-cyclohex-2-en-1-one
- Molecular weight
- 0
Names & synonyms
72036-54-55,5-Dimethyl-3-(4-bromophenyl)cyclohex-2-en-1-one5,5-Dimethyl-3-(4-bromophenyl)-cyclohex-2-enoneDTXSID202223485,5-Dimethyl-3-(4-bromophenyl)-cyclohex-2-en-1-one4'-Bromo-5,5-dimethyl-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
Database identifiers
- CAS
72036-54-5- PubChem CID
- 144530
- DTXSID
DTXSID20222348
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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