CAS 76283-09-5|4-bromo-1-(bromomethyl)-2-fluorobenzene|4-Bromo-2-fluorobenzyl bromide|4-bromo-1-(bromomethyl)-2-fluorobenzene|4-Bromo-2-fluorobenzyl bromide 97%|alpha,4-Dibromo-2-fluorotoluene|4-Bro...

General Information

Structure

Molecular Formula

C₇H₅Br₂F

Molecular Mass

267.9210032

Exact Mass

265.87420238

Charge

InChI

InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

InChIKey

XMHNLZXYPAULDF-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1F)Br

Isomeric Smiles

c1cc(cc(c1CBr)F)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6574378

LogD (pH = 7.4)

3.6574378

Log P

3.6574378

Molar Refractivity

46.7476

Polarizability

17.789398

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-bromo-1-(bromomethyl)-2-fluorobenzene

Synonyms

4-Bromo-2-fluorobenzyl bromide4-Bromo-2-fluorobenzyl bromide 97%alpha,4-Dibromo-2-fluorotoluene4-Bromo-1-(bromomethyl)-2-fluorobenzene4-溴-2-氟溴苄4-Bromo-2-fluorobenzyl bromide4,α-Dibromo-2-fluorotoluene4-溴-2-氟苄溴4-Bromo-1-(bromomethyl)-2-fluorobenzene4-溴-2-氟苯甲基溴

IUPAC Traditional name

4-bromo-1-(bromomethyl)-2-fluorobenzene

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number