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CAS Number: 182949-90-2
6-bromoisochroman

Structure

 6-bromoisochroman
Name: 6-bromoisochroman
Synonyms:
General Information
Product Number: 182949902

CAS Registry Number 182949-90-2
Name:
1H-?2-?Benzopyran, 6-?bromo-?3,?4-?dihydro-
6-Bromoisochroman

 

Chemical Formula: C9H9BrO
Exact Mass: 211.98
Molecular Weight: 213.07
m/z: 211.98 (100.0%), 213.98 (97.3%), 212.99 (9.9%), 214.98 (9.5%)

 

InChI:InChI=1S/C9H9BrO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6H2

InChI Key:LHXQWWFCWFMCHO-UHFFFAOYSA-N

Canonical SMILES:C1COCC2=C1C=C(C=C2)Br

Specification

98%
References

PCT Int. Appl. (2006), WO 2006048727 A1 20060511.                                 

Tetrahedron (2010), 66(17), 3147-3151. 
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