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CAS Number: 1189815-93-7
8-bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylic acid

Structure

 8-bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylic acid
Name: 8-bromo-4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylic acid
Synonyms:
General Information
Product Number: 1189815937

CAS Registry Number 1189815-93-7
Name:
[1]?Benzoxepino[5,?4-?d]?thiazole-?2-?carboxylic acid, 8-?bromo-?4,?5-?dihydro-

 

Chemical Formula: C12H8BrNO3S
Exact Mass: 324.94
Molecular Weight: 326.17
m/z: 326.94 (100.0%), 324.94 (98.1%), 327.94 (14.2%), 325.94 (13.9%), 328.93 (4.3%), 326.95 (1.4%)

 

InChI:InChI=1S/C12H8BrNO3S/c13-6-1-2-7-8(5-6)17-4-3-9-10(7)14-11(18-9)12(15)16/h1-2,5H,3-4H2,(H,15,16)

InChI Key:PQMWVRBLUPBGKQ-UHFFFAOYSA-N

Canonical SMILES:C1COC2=C(C=CC(=C2)Br)C3=C1SC(=N3)C(=O)O

Specification

98%
References

PCT Int. Appl. (2011), WO 2011036284 A1 20110331.                                 

U.S. Pat. Appl. Publ. (2009), US 20090247567 A1 20091001.
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