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CAS Number: 481075-47-2
6-(trifluoromethyl)isobenzofuran-1(3H)-one

Structure

6-(trifluoromethyl)isobenzofuran-1(3H)-one
Name: 6-(trifluoromethyl)isobenzofuran-1(3H)-one
Synonyms:
General Information
Product Number: 481075472

CAS Registry Number 481075-47-2
Name:
1(3H)?-?Isobenzofuranone, 6-?(trifluoromethyl)?-
6-(Trifluoromethyl)isobenzofuran-1(3H)-one
6-Trifluoromethyl-3H-isobenzofuran-1-one

 

Chemical Formula: C9H5F3O2
Exact Mass: 202.02
Molecular Weight: 202.13
m/z: 202.02 (100.0%), 203.03 (9.9%)

 

InChI:InChI=1S/C23H28N8O2/c1-29-8-10-31(11-9-29)15-5-7-18(33-3)17(12-15)26-23-25-13-14-4-6-16-20(22(24)32)28-30(2)21(16)19(14)27-23/h5,7,12-13H,4,6,8-11H2,1-3H3,(H2,24,32)(H,25,26,27)

InChI Key:SWTRIZHCIUWGAU-UHFFFAOYSA-N

Canonical SMILES:CN1CCN(CC1)C2=CC(=C(C=C2)OC)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)C

Specification

98%

References

PCT Int. Appl. (2010), WO 2010111572 A1 20100930.                                  

PCT Int. Appl. (2007), WO 2007088996 A1 20070809. 

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