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CAS Number: 168759-64-6
7-bromoisochroman-4-one

Structure

 7-bromoisochroman-4-one
Name: 7-bromoisochroman-4-one
Synonyms:
General Information
Product Number: 168759646

CAS Registry Number 168759-64-6
Name:
1H-?2-?Benzopyran-?4(3H)?-?one, 7-?bromo-

 

Chemical Formula: C9H7BrO2
Exact Mass: 225.96
Molecular Weight: 227.05
m/z: 225.96 (100.0%), 227.96 (97.3%), 226.97 (9.9%), 228.96 (9.5%)

 

InChI:InChI=1S/C9H7BrO2/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-3H,4-5H2

InChI Key:ASAGKWXSKFPRQW-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=CC(=C2)Br)C(=O)CO1

Specification

98%
References

PCT Int. Appl. (2015), WO 2015089327 A1 20150618.                                 

PCT Int. Appl. (1995), WO 9506640 A1 19950309.                                  
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