CAS 42138-14-7|Dibenzo[b,d]furan-3-sulphonyl chloride|8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-5-sulfonyl chloride|8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-5-...

General Information

Structure

Molecular Formula

C₁₂H₇ClO₃S

Molecular Mass

266.70018

Exact Mass

265.98044276

Charge

InChI

InChI=1S/C12H7ClO3S/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H

InChIKey

CGJNXSWIIBSXII-UHFFFAOYSA-N

Canonic Smiles

ClS(=O)(=O)c1ccc2c(c1)oc1c2cccc1

Isomeric Smiles

o1c2c(ccc(c2)S(=O)(=O)Cl)c2c1cccc2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0975502

LogD (pH = 7.4)

3.0975502

Log P

3.0975502

Molar Refractivity

65.421

Polarizability

28.233334

Polar Surface Area

47.28

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Dibenzo[b,d]furan-3-sulphonyl chlorideDibenzo[b,d]furan-3-sulfonyl chloride

IUPAC name

8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-5-sulfonyl chloride 8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5-sulfonyl chloride

IUPAC Traditional name

8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-5-sulfonyl chloride 8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-5-sulfonyl chloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties