CAS 656-42-8|2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde 98%|2,2-difluoro-1,3-benzodioxole-5-carbaldehyde|2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde|3,4-(Difluoromethylenedioxy)benzaldehyde|...

General Information

Structure

Molecular Formula

C₈H₄F₂O₃

Molecular Mass

186.1123664

Exact Mass

186.01285043

Charge

InChI

InChI=1S/C8H4F2O3/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-4H

InChIKey

GGERGLKEDUUSAP-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc2c(c1)OC(O2)(F)F

Isomeric Smiles

O1C(Oc2cc(ccc12)C=O)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.701726

LogD (pH = 7.4)

2.701726

Log P

2.701726

Molar Refractivity

36.4788

Polarizability

14.423414

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde 98%2,2-Difluoro-5-formyl-1,3-benzodioxole3,4-(Difluoromethylenedioxy)benzaldehyde1,2-(Difluoromethylenedioxy)-4-formylbenzene2,2-二氟-1,3-苯并二噁茂-5-甲醛2,2-二氟-5-甲酰苯并二噁茂2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde2,2-Difluoro-5-formylbenzodioxole2,2-Difluorobenzo[d][1,3]dioxole-5-carbaldehyde2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde2,2-二氟-1,3-苯并二噁茂-5-甲醛

IUPAC Traditional name

2,2-difluoro-1,3-benzodioxole-5-carbaldehyde

IUPAC name

2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde

Names and Identifiers

Registration numbers

CAS Number

656-42-8

MDL Number

MFCD00792420

PubChem SID

16208403524881508