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CAS Number: 141106-23-2
8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Structure

8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Name: 8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Synonyms:
General Information
Product Number: 141106232
CAS Registry Number:
141106-23-2
Name:
1-​Benzoxepin-​5(2H)​-​one, 8-​bromo-​3,​4-​dihydro-
8-​Bromo-​3,​4-​dihydro-​2H-​benzo[b]​oxepin-​5-​one; 8-​Bromo-​3,​4-​dihydrobenzo[b]​oxepin-​5(2H)​-​one 
 
Chemical Formula: C10H9BrO2
Exact Mass: 239.98
Molecular Weight: 241.08
m/z: 239.98 (100.0%), 241.98 (97.7%), 240.98 (11.0%), 242.98 (10.7%)
Elemental Analysis: C, 49.82; H, 3.76; Br, 33.14; O, 13.27
 
InChI: InChI=1S/C10H9BrO2/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6H,1-2,5H2
InChIKey: LXKQMHNFHKVGAZ-UHFFFAOYSA-N
Canonical SMILES : C1CC(=O)C2=C(C=C(C=C2)Br)OC1

Specification

98%

References
  1. (1) Heffron, Timothy P.; Journal of Medicinal Chemistry 2011, V54(22), P7815-7833 CAPLUS
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