CAS 141134-24-9|2-Bromo-4'-(difluoromethoxy)acetophenone|2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone|2-bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one|2-bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-o...

General Information

Structure

Molecular Formula

C₉H₇BrF₂O₂

Molecular Mass

265.0514864

Exact Mass

263.9597479

Charge

InChI

InChI=1S/C9H7BrF2O2/c10-5-8(13)6-1-3-7(4-2-6)14-9(11)12/h1-4,9H,5H2

InChIKey

JMUKUVDYZQDUSP-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)OC(F)F

Isomeric Smiles

c1(ccc(cc1)C(=O)CBr)OC(F)F

Calculated Properties

JChem

Acid pKa

15.612223

H Acceptors

H Donor

LogD (pH = 5.5)

3.0228193

LogD (pH = 7.4)

3.0228193

Log P

3.0228193

Molar Refractivity

50.6696

Polarizability

19.145157

Polar Surface Area

26.3

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-(difluoromethoxy)phenyl]ethanone

Synonyms

2-Bromo-4'-(difluoromethoxy)acetophenone2-bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one2-Bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one2-Bromo-4'-(difluoromethoxy)acetophenone4-(Difluoromethoxy)phenacyl bromide 98%2-BroMo-1-(4-(difluoroMethoxy)phenyl)ethanone

IUPAC name

2-bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID