CAS 63758-12-3|2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl chloride|2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride|2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride|2,3-dihydro-1,4-benzodioxine-6-sulf...

General Information

Structure

Molecular Formula

C₈H₇ClO₄S

Molecular Mass

234.65678

Exact Mass

233.97535738

Charge

InChI

InChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2

InChIKey

JWHSRWUHRLYAPM-UHFFFAOYSA-N

Canonic Smiles

ClS(=O)(=O)c1ccc2c(c1)OCCO2

Isomeric Smiles

C1COc2c(O1)ccc(c2)S(=O)(=O)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4326813

LogD (pH = 7.4)

1.4326813

Log P

1.4326813

Molar Refractivity

51.2096

Polarizability

20.817135

Polar Surface Area

52.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl chloride2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride6-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxine2,3-Dihydro-1,4-benzodioxine-6-sulphonyl chloride2,3-二氢-1,4-苯并二噁英-6-磺酰氯2,3-Dihydro-1,4-benzodioxine-6-sulfonyl chloride1,4-Benzodioxan-6-sulfonyl chloride苯并-1,4-二噁烷-6-磺酰氯1,4-Benzodioxane-6-sulfonyl chloride1,4-苯并二氧杂环乙烷-6-磺酰氯2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonyl chloride

IUPAC Traditional name

2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride

IUPAC name

2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride

Names and Identifiers

Registration numbers

MDL Number

MFCD02677681

CAS Number

63758-12-3

PubChem SID

160976102