CAS Registry Number: 226085-17-2

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​1-​carboxylic acid, 3-​bromo-​, 1,​1-​dimethylethyl ester
3-​Bromopyrrolo[2,​3-​b]​pyridine-​1-​carboxylic acid tert-​butyl ester 

Chemical Formula: C12H13BrN2O2
Exact Mass: 296.02
Molecular Weight: 297.15
m/z: 296.02 (100.0%), 298.01 (97.3%), 297.02 (13.2%), 299.02 (12.9%), 298.02 (1.3%), 300.02 (1.2%)

InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-7-9(13)8-5-4-6-14-10(8)15/h4-7H,1-3H3
InChIKey: LRMPSYYFDWATPN-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)Br

Specification

98%

(1) Alvarez, Mercedes; Synthesis 1999, (4), P615-620 CAPLUS