CAS 52287-51-1|6-bromo-2,3-dihydro-1,4-benzodioxine|6-bromo-2,3-dihydro-1,4-benzodioxine|6-Bromo-1,4-benzodioxane|3,4-Ethylenedioxybromobenzene|6-Bromo-2,3-dihydro-1,4-benzodioxine 97%|6-溴-1,4-苯并...

General Information

Structure

Molecular Formula

C₈H₇BrO₂

Molecular Mass

215.04398

Exact Mass

213.96294146

Charge

InChI

InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2

InChIKey

LFCURAJBHDNUNG-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc2c(c1)OCCO2

Isomeric Smiles

c12cc(ccc1OCCO2)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.255131

LogD (pH = 7.4)

2.255131

Log P

2.255131

Molar Refractivity

44.6382

Polarizability

17.522943

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

6-bromo-2,3-dihydro-1,4-benzodioxine

IUPAC Traditional name

6-bromo-2,3-dihydro-1,4-benzodioxine

Synonyms

6-Bromo-1,4-benzodioxane3,4-Ethylenedioxybromobenzene6-Bromo-2,3-dihydro-1,4-benzodioxine 97%6-溴-1,4-苯并二噁烷6-Bromo-1,4-benzodioxane6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine3,4-(Ethylenedioxy)bromobenzene4-Bromo-1,2-(ethylenedioxy)benzene6-溴-1,4-苯并二氧烷

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

EC Number

MDL Number