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CAS Number: 1226791-81-6
8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid

Structure

 8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid
Name: 8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid
Synonyms:
General Information
Product Number: 1226791816

CAS Registry Number 1226791-81-6
Name:
3H-?1-?Benzazepine-?4-?carboxylic acid, 8-?bromo-?2-?[[(1,?1-?dimethylethoxy)?carbonyl]?amino]?-

 

Chemical Formula: C16H17BrN2O4
Exact Mass: 380.04
Molecular Weight: 381.22
m/z: 380.04 (100.0%), 382.04 (99.7%), 381.04 (17.7%), 383.04 (17.3%), 384.04 (2.4%)

 

InChI:InChI=1S/C16H17BrN2O4/c1-16(2,3)23-15(22)19-13-7-10(14(20)21)6-9-4-5-11(17)8-12(9)18-13/h4-6,8H,7H2,1-3H3,(H,20,21)(H,18,19,22)

InChI Key:XEUDFCAJXSUGRQ-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)NC1=NC2=C(C=CC(=C2)Br)C=C(C1)C(=O)O

Specification

98%
References

PCT Int. Appl. (2011), WO 2011022509 A2 20110224.                                  

PCT Int. Appl. (2010), WO 2010054215 A1 20100514. 
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