CAS 144584-66-7|4-溴-2,2-二氟-1,3-苯并二氧杂环戊二烯|4-bromo-2,2-difluoro-1,3-benzodioxole|4-bromo-2,2-difluoro-2H-1,3-benzodioxole|4-Bromo-2,2-difluoro-1,3-benzodioxole 98%|4-Bromo-2,2-difluoro-1,3...

General Information

Structure

Molecular Formula

C₇H₃BrF₂O₂

Molecular Mass

236.9983264

Exact Mass

235.92844778

Charge

InChI

InChI=1S/C7H3BrF2O2/c8-4-2-1-3-5-6(4)12-7(9,10)11-5/h1-3H

InChIKey

LSZYHXNOLVSZHH-UHFFFAOYSA-N

Canonic Smiles

Brc1cccc2c1OC(O2)(F)F

Isomeric Smiles

c1cc(c2c(c1)OC(O2)(F)F)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.7579763

LogD (pH = 7.4)

3.7579763

Log P

3.7579763

Molar Refractivity

37.5176

Polarizability

15.623712

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-溴-2,2-二氟-1,3-苯并二氧杂环戊二烯4-Bromo-2,2-difluoro-1,3-benzodioxole 98%4-Bromo-2,2-difluoro-1,3-benzodioxole2,3-[(Difluoromethylene)dioxy]bromobenzene1-Bromo-2,3-[(difluoromethylene)dioxy]benzene4-溴-2,2-二氟-1,3-苯并二氧杂环戊烯4-Bromo-2,2-difluoro-1,3-benzodioxole

IUPAC Traditional name

4-bromo-2,2-difluoro-1,3-benzodioxole

IUPAC name

4-bromo-2,2-difluoro-2H-1,3-benzodioxole

Names and Identifiers

Registration numbers

MDL Number

MFCD01631385

CAS Number

144584-66-7

PubChem SID

160993194