CAS Registry Number: 90531-98-9

Name:

Benzene, 1-​bromo-​2-​methoxy-​4-​(methylsulfonyl)​-
Anisole, 2-​bromo-​5-​(methylsulfonyl)​- (7CI); 1-​Bromo-​2-​methoxy-​4-​(methylsulfonyl)​benzene

Chemical Formula: C8H9BrO3S
Exact Mass: 263.95
Molecular Weight: 265.12
m/z: 265.94 (100.0%), 263.95 (98.2%), 264.95 (8.7%), 266.95 (8.5%), 267.94 (4.3%), 266.94 (1.1%), 267.95 (1.0%), 265.95 (1.0%)
Elemental Analysis: C, 36.24; H, 3.42; Br, 30.14; O, 18.10; S, 12.09

InChI: InChI=1S/C8H9BrO3S/c1-12-8-5-6(13(2,10)11)3-4-7(8)9/h3-5H,1-2H3
InChIKey: WTVKPGMTQBHSQS-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC(=C1)S(=O)(=O)C)Br

Specification

98%

1. (1) Arcoria, Antonino; Annali di Chimica (Rome, Italy) 1964, V54(1-2), P139-55 CAPLUS