1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one
1-(4-bromophenyl)-4-methylpent-1-en-3-one
Also Known As: 1-(4-bromophenyl)-4-methylpent-1-en-3-one|NCI60_018087|1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one|1-Penten-3-one, 1-(4-bromophenyl)-4-methyl-
CAS: 856683-64-2
| Molecular Formula | C12H13BrO |
|---|---|
| Molecular Weight | 252.01498 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01498 |
| Monoisotopic Mass | 252.01498 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 856683-64-2 |
|---|---|
| SMILES | CC(C)C(=O)C=CC1=CC=C(C=C1)Br |
| InChIKey | NXRQXRLIGYBVGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (7 patents)
Organic Building Blocks (4 patents)
Pharmaceutical Intermediates (16 patents)
Product Overview
1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one (CAS 856683-64-2), with molecular formula C12H13BrO and molecular weight 252.01498 g/mol. IUPAC: 1-(4-bromophenyl)-4-methylpent-1-en-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
1-(4-Bromo-phenyl)-4-methyl-pent-1-en-3-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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