CAS Registry Number: 123856-15-5

Name:

Naphthalene, 6-​bromo-​2-​methoxy-​1-​nitro-

Chemical Formula: C11H8BrNO3
Exact Mass: 280.97
Molecular Weight: 282.09
m/z: 280.97 (100.0%), 282.97 (97.9%), 281.97 (12.4%), 283.97 (11.8%), 284.97 (1.3%)
Elemental Analysis: C, 46.84; H, 2.86; Br, 28.33; N, 4.97; O, 17.02

InChI: InChI=1S/C11H8BrNO3/c1-16-10-5-2-7-6-8(12)3-4-9(7)11(10)13(14)15/h2-6H,1H3
InChIKey: VQUIAHIZENASND-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C2=C(C=C1)C=C(C=C2)Br)[N+](=O)[O-]

Specification

98%

PCT Int. Appl. (2012), WO 2012068234 A2 20120524.                                 

Journal of the American Chemical Society (2004), 126(30), 9200-9201.