CAS 30095-47-7|2-bromo-1-(4-tert-butylphenyl)ethanone|2-bromo-1-(4-tert-butylphenyl)ethan-1-one|2-bromo-1-(4-tert-butylphenyl)ethanone|2-Bromo-1-(4-tert-butylphenyl)ethanone|p-tert-Butyl α-bromoace...

General Information

Structure

Molecular Formula

C₁₂H₁₅BrO

Molecular Mass

255.1509

Exact Mass

254.0306271

Charge

InChI

InChI=1S/C12H15BrO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8H2,1-3H3

InChIKey

GCJWEWNNECJKPG-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)C(C)(C)C

Isomeric Smiles

C(c1ccc(C(=O)CBr)cc1)(C)(C)C

Calculated Properties

JChem

Acid pKa

15.607646

H Acceptors

H Donor

LogD (pH = 5.5)

3.7987888

LogD (pH = 7.4)

3.7987888

Log P

3.7987888

Molar Refractivity

62.8634

Polarizability

23.978102

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-bromo-1-(4-tert-butylphenyl)ethanone

IUPAC name

2-bromo-1-(4-tert-butylphenyl)ethan-1-one

Synonyms

2-bromo-1-(4-tert-butylphenyl)ethanone2-Bromo-1-(4-tert-butylphenyl)ethanonep-tert-Butyl α-bromoacetophenonep-tert-Butyl-ω-bromoacetophenone2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]ethanone2-Bromo-4'-tert-butylacetophenone4-(2-Bromoacetyl)-tert-butylbenzene2-Bromo-1-(4-tert-butyl-phenyl)-ethanone

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties