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CAS Number: 1033723-31-7
(5-bromo-2-chloro-4-methoxyphenyl)methanol

Structure

(5-bromo-2-chloro-4-methoxyphenyl)methanol
Name: (5-bromo-2-chloro-4-methoxyphenyl)methanol
Synonyms:
General Information
Product Number: 1033723317

CAS Registry Number 1033723-31-7
Name:
Benzenemethanol, 5-​bromo-​2-​chloro-​4-​methoxy-

 

Chemical Formula: C8H8BrClO2
Exact Mass: 249.94
Molecular Weight: 251.50
m/z: 251.94 (100.0%), 249.94 (77.1%), 253.93 (24.0%), 252.94 (8.8%), 250.94 (6.7%), 254.94 (2.1%)

 

InChI:InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12+/t18-,20-,23+,24-,25+,26+,28+/m0/s1

InChI Key:PSWKLSOBPNHZSY-XPDCBLIISA-N

Canonical SMILES:CC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)O

Specification

98%

References

(1) Lee, Suk Ho; European Journal of Medicinal Chemistry 2011, V46(7), P2662-2675 CAPLUS

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