CAS Registry Number: 18442-22-3

Name:

4H-​1-​Benzopyran-​4-​one, 7-​bromo-​2,​3-​dihydro-
4-​Chromanone, 7-​bromo- (8CI); 7-​Bromo-​2,​3-​dihydro-​4H-​chromen-​4-​one; 7-​Bromochroman-​4-​one 

Chemical Formula: C9H7BrO2
Exact Mass: 225.96
Molecular Weight: 227.05
m/z: 225.96 (100.0%), 227.96 (97.3%), 226.97 (9.9%), 228.96 (9.5%)
Elemental Analysis: C, 47.61; H, 3.11; Br, 35.19; O, 14.09

InChI: InChI=1S/C9H7BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2
InChIKey: DMEAYYYHWLCPCD-UHFFFAOYSA-N
Canonical SMILES : C1COC2=C(C1=O)C=CC(=C2)Br

Specification

98%

1. (1) Zhong, Yong-Li; Tetrahedron Letters 2011, V52(38), P4824-4826 CAPLUS