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CAS Number: 1162262-43-2
6-bromoisochroman-1-one

Structure

6-bromoisochroman-1-one
Name: 6-bromoisochroman-1-one
Synonyms:
General Information
Product Number: 1162262432
CAS Number:
1162262-43-2
Name:
6-Bromo-3,4-dihydroisochromen-1-one
6-Bromo-3,4-dihydro-1H-isochromen-1-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%)
Elemental Analysis: C, 47.61; H, 3.11; Br, 35.19; O, 14.09
InChI: InChI=1S/C9H7BrO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5H,3-4H2
InChIKey: UPAPBCUWEGCRAG-UHFFFAOYSA-N
Canonical SMILES : C1COC(=O)C2=C1C=C(C=C2)Br
 
 
Thermal Properties Value Condition Note
Melting Point 63-65 °C   (1)CAS

Specification

98%

References
  1. (1) Rioz-Martinez, Ana; European Journal of Organic Chemistry 2009, (15), P2526-2532, S2526/1-S2526/14 CAPLUS
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