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CAS Number: 912545-10-9
2,4-bis(benzyloxy)-5-bromobenzoic acid

Structure

2,4-bis(benzyloxy)-5-bromobenzoic acid
Name: 2,4-bis(benzyloxy)-5-bromobenzoic acid
Synonyms:
General Information
Product Number: 912545109

CAS Registry Number 912545-10-9
Name:
Benzoic acid, 5-​bromo-​2,​4-​bis(phenylmethoxy)​-
2,4-Bis(benzyloxy)-5-bromobenzoic acid

 

Chemical Formula: C21H17BrO4
Exact Mass: 412.03
Molecular Weight: 413.26
m/z: 412.03 (100.0%), 414.03 (97.3%), 413.03 (22.7%), 415.03 (22.2%), 414.04 (3.4%), 416.04 (2.5%)

 

InChI:InChI=1S/C21H17BrO4/c22-18-11-17(21(23)24)19(25-13-15-7-3-1-4-8-15)12-20(18)26-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)

InChI Key:FIKOMQHPRWFQIM-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)COC2=CC(=C(C=C2C(=O)O)Br)OCC3=CC=CC=C3

Specification

98%

References
  1. (1) Woodhead, Andrew J.; Journal of Medicinal Chemistry 2010, V53(16), P5956-5969 CAPLUS
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