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CAS Number: 1202780-22-0
tert-butyl 6-bromo-3-oxobenzo[d]isoxazole-2(3H)-carboxylate

Structure

 tert-butyl 6-bromo-3-oxobenzo[d]isoxazole-2(3H)-carboxylate
Name: tert-butyl 6-bromo-3-oxobenzo[d]isoxazole-2(3H)-carboxylate
Synonyms:
General Information
Product Number: 1202780220

CAS Registry Number 1202780-22-0
Name:
1,?2-?Benzisoxazole-?2(3H)?-?carboxylic acid, 6-?bromo-?3-?oxo-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C12H12BrNO4
Exact Mass: 312.99
Molecular Weight: 314.13
m/z: 312.99 (100.0%), 314.99 (97.3%), 314.00 (13.3%), 316.00 (13.0%), 315.00 (1.7%), 317.00 (1.6%)

 

InChI:InChI=1S/C12H12BrNO4/c1-12(2,3)17-11(16)14-10(15)8-5-4-7(13)6-9(8)18-14/h4-6H,1-3H3

InChI Key:YZRKYCKMWXUJSF-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1C(=O)C2=C(O1)C=C(C=C2)Br

Specification

98%
References

U.S. Pat. Appl. Publ. (2007), US 20070049603 A1 20070301.
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