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CAS Number: 1241674-09-8
5-iodo-2-methoxy-4-methylbenzoic acid

Structure

5-iodo-2-methoxy-4-methylbenzoic acid
Name: 5-iodo-2-methoxy-4-methylbenzoic acid
Synonyms:
General Information
Product Number: 1241674098
CAS Registry Number:
1241674-09-8
Name:
Benzoic acid, 5-​iodo-​2-​methoxy-​4-​methyl-
 
Chemical Formula: C9H9IO3
Exact Mass: 291.96
Molecular Weight: 292.07
m/z: 291.96 (100.0%), 292.96 (9.8%)
Elemental Analysis: C, 37.01; H, 3.11; I, 43.45; O, 16.43
 
InChI: InChI=1S/C9H9IO3/c1-5-3-8(13-2)6(9(11)12)4-7(5)10/h3-4H,1-2H3,(H,11,12)
InChIKey: ZMSRDJONMBQQAD-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C(=C1)OC)C(=O)O)I

Specification

98%

References

U.S. Pat. Appl. Publ. (2013), US 20130203775 A1 20130808

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