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CAS Number: 869085-97-2
2,2-difluoro-5-isothiocyanatobenzo[d][1,3]dioxole

Structure

2,2-difluoro-5-isothiocyanatobenzo[d][1,3]dioxole
Name: 2,2-difluoro-5-isothiocyanatobenzo[d][1,3]dioxole
Synonyms:
General Information
Product Number: 869085972

CAS Registry Number 869085-97-2
Name:
1,?3-?Benzodioxole, 2,?2-?difluoro-?5-?isothiocyanato-

 

Chemical Formula: C8H3F2NO2S
Exact Mass: 214.99
Molecular Weight: 215.18
m/z: 214.99 (100.0%), 215.99 (8.8%), 216.98 (4.5%), 215.98 (1.2%)

 

InChI:InChI=1S/C8H3F2NO2S/c9-8(10)12-6-2-1-5(11-4-14)3-7(6)13-8/h1-3H

InChI Key:PKCOTODGEAJGQZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1N=C=S)OC(O2)(F)F

Specification

98%

References

PCT Int. Appl. (2009), WO 2009135944 A1 20091112.                                 

Bioorganic & Medicinal Chemistry Letters (2006), 16(5), 1191-1196.                                  

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