Basic information
- CAS
77565-38-9- Standard SMILES
CC(Br)C(=O)c1ccc(C(C)(C)C)cc1- InChIKey
ZMBLZOBFRDFUGI-UHFFFAOYSA-N- Molecular formula
- C13H17BrO
- Average molar mass
- 269.18 g/mol
- Monoisotopic mass
- 268.04628
Names & identifiers
- Preferred name
- 2-Bromo-1-(4-(tert-butyl)phenyl)propan-1-one
- IUPAC
- 2-bromo-1-(4-tert-butylphenyl)propan-1-one
- English name
- 2-BROMO-1-(4-ISOBUTYL PHENYL)-1-PROPANONE
- Molecular formula
- C13H17BrO
- Molecular weight
- 269.18
Names & synonyms
SCHEMBL114618592-Bromo-1-(4-(tert-butyl)phenyl)propan-1-one2-bromo-1-(4-tert-butylphenyl)propan-1-one2-bromo-1-[4-(2-methylpropyl)phenyl]-1-propanone1-Propanone, 2-bromo-1-[4-(1,1-dimethylethyl)phenyl]-
Database identifiers
- CAS
77565-38-9- PubChem CID
- 43144127
- Nikkaji
- J3.079.036G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 316.2 · 316.2±25.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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