CAS Registry Number: 331683-65-9

Name:

4H-​1-​Benzopyran-​4-​one, 7-​(bromomethyl)​-

Chemical Formula: C10H7BrO2
Exact Mass: 237.96
Molecular Weight: 239.07
m/z: 237.96 (100.0%), 239.96 (97.3%), 238.97 (11.0%), 240.96 (10.5%)

InChI: InChI=1S/C20H17N5O4S/c1-12-18(19(27)24(23(12)2)13-6-4-3-5-7-13)17(26)11-30-20-21-15-9-8-14(25(28)29)10-16(15)22-20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKey: ZMLCCAFPWXODOB-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Specification

98%

1. (1) Recanatini, Maurizio; Journal of Medicinal Chemistry 2001, V44(5), P672-680 CAPLUS