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CAS Number: 612833-45-1
ethyl 5-iodo-2-methylbenzoate

Structure

ethyl 5-iodo-2-methylbenzoate
Name: ethyl 5-iodo-2-methylbenzoate
Synonyms:
General Information
Product Number: 612833451
CAS Registry Number: 612833-45-1
Name:
        Benzoic acid, 5-​iodo-​2-​methyl-​, ethyl ester
        Ethyl 5-​iodo-​2-​methylbenzoate 
 
Chemical Formula: C10H11IO2
Exact Mass: 289.98
Molecular Weight: 290.10
m/z: 289.98 (100.0%), 290.98 (10.9%)
Elemental Analysis: C, 41.40; H, 3.82; I, 43.75; O, 11.03
 
InChI: InChI=1S/C10H11IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChIKey: KIXOYKIVPNXTDY-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=CC(=C1)I)C

Specification

98%

References
  1. (1) Song, Kwang-Seop; ACS Medicinal Chemistry Letters 2011, V2(2), P182-187 CAPLUS
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