CAS Registry Number: 89901-03-1

Name:

[1,​1'-​Biphenyl]​-​4-​carboxylic acid, 4'-​bromo-​, methyl ester
4'-​Bromobiphenyl-​4-​carboxylic acid methyl ester; Methyl 4'-​bromobiphenyl-​4-​carboxylate 

Chemical Formula: C14H11BrO2
Exact Mass: 289.99
Molecular Weight: 291.14
m/z: 289.99 (100.0%), 291.99 (97.3%), 291.00 (15.3%), 293.00 (15.0%), 292.00 (1.5%), 294.00 (1.5%)
Elemental Analysis: C, 57.76; H, 3.81; Br, 27.45; O, 10.99

InChI: InChI=1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKey: JHNMJLKCONRGMK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

Specification

98%

1. (1) Monguchi, Yasunari; Tetrahedron Letters 2005, V46(44), P7589-7592 CAPLUS
2. (2) Fletcher, David I.; Bioorganic & Medicinal Chemistry 2007, V15(16), P5457-5479 CAPLUS
3. (3) Conte, Gilmar; Liquid Crystals 2005, V32(10), P1213-1222 CAPLUS
4. (4) Whitehouse, Darren; WO 2004099171 A2 2004 CAPLUS