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CAS Number: 1776-09-6
3-bromochroman-4-one

Structure

 3-bromochroman-4-one
Name: 3-bromochroman-4-one
Synonyms:
General Information
Product Number: 1776096

CAS Registry Number 1776-09-6
Name:
4H-?1-?Benzopyran-?4-?one, 3-?bromo-?2,?3-?dihydro-
4-Chromanone, 3-bromo- (6CI,7CI,8CI)
3-Bromo-2,3-dihydro-4H-1-benzopyran-4-one
3-Bromo-2,3-dihydrobenzopyran-4-one
3-Bromo-4H-chroman-4-one
3-Bromochroman-4-one

 

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

InChI Key:FTRRZJIVFMSIJJ-UHFFFAOYSA-N

Canonical SMILES:C1C(C(=O)C2=CC=CC=C2O1)Br

Specification

98%
References
  1. (2) Shaikh, Mahidansha M.; Acta Crystallographica, Section E: Structure Reports Online 2013, V69(4), Po473 CAPLUS
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