CAS Registry Number: 89877-63-4

Name:

5-​Isobenzofurancarboni​trile, 1-​bromo-​1,​3-​dihydro-​3-​oxo-

Chemical Formula: C9H4BrNO2
Exact Mass: 236.94
Molecular Weight: 238.04
m/z: 236.94 (100.0%), 238.94 (97.3%), 239.94 (9.9%), 237.95 (9.9%)
Elemental Analysis: C, 45.41; H, 1.69; Br, 33.57; N, 5.88; O, 13.44

InChI: InChI=1S/C9H4BrNO2/c10-8-6-2-1-5(4-11)3-7(6)9(12)13-8/h1-3,8H
InChIKey: CDKBUJVKCXGMMD-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1C#N)C(=O)OC2Br

Specification

98%

U.S. Pat. Appl. Publ. (2013), US 20130345252 A1 20131226.

Journal of Medicinal Chemistry (2013), 56(1), 182-200.