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CAS Number: 105679-22-9
7-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine

Structure

7-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine
Name: 7-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine
Synonyms:
General Information
Product Number: 105679229
CAS Registry Number: 105679-22-9
Name:
        2H-​1,​4-​Benzoxazine, 7-​bromo-​3,​4-​dihydro-
        7-​Bromo-​3,​4-​dihydro-​2H-​1,​4-​benzoxazine; 7-​Bromo-​3,​4-​dihydro-​2H-​benzo[b]​[1,​4]​oxazine 
 
Chemical Formula: C8H8BrNO
Exact Mass: 212.98
Molecular Weight: 214.06
m/z: 212.98 (100.0%), 214.98 (97.5%), 213.98 (9.1%), 215.98 (8.5%)
Elemental Analysis: C, 44.89; H, 3.77; Br, 37.33; N, 6.54; O, 7.47
 
InChI: InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKey: JLZUUGCTPRPFKZ-UHFFFAOYSA-N
Canonical SMILES : C1COC2=C(N1)C=CC(=C2)Br

Specification

98%

References
  1. (1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2014 ACD/Labs)
  2. (2) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V11.01 (© 1994-2014 ACD/Labs)
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