CAS Registry Number: 120935-94-6

Name:

1H-​Pyrrole-​3-​carboxylic acid, 4-​bromo-​2,​5-​dimethyl-​, methyl ester

Chemical Formula: C8H10BrNO2
Exact Mass: 230.99
Molecular Weight: 232.07
m/z: 230.99 (100.0%), 232.99 (97.7%), 231.99 (9.1%), 233.99 (8.6%)
Elemental Analysis: C, 41.40; H, 4.34; Br, 34.43; N, 6.04; O, 13.79

InChI: InChI=1S/C8H10BrNO2/c1-4-6(8(11)12-3)7(9)5(2)10-4/h10H,1-3H3
InChIKey: LGBDYFSMZPRVLL-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=C(N1)C)Br)C(=O)OC

Specification

98%

PCT Int. Appl. (2003), WO 2003057669 A1 20030717.

Bioorganic & Medicinal Chemistry (2012), 20(1), 422-434.