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CAS Number: 99059-64-0
3-iodo-4-isopropylbenzoic acid

Structure

 3-iodo-4-isopropylbenzoic acid
Name: 3-iodo-4-isopropylbenzoic acid
Synonyms:
General Information
Product Number: 99059640

CAS Registry Number 99059-64-0
Name:
Benzoic acid, 3-?iodo-?4-?(1-?methylethyl)?-
Benzoic acid, 3-iodo-4-isopropyl- (6CI)
3-Iodo-4-isopropylbenzoic acid

 

Chemical Formula: C10H11IO2
Exact Mass: 289.98
Molecular Weight: 290.10
m/z: 289.98 (100.0%), 290.98 (10.9%)

 

InChI:InChI=1S/C10H11IO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)

InChI Key:YKYRHJJXCOILPA-UHFFFAOYSA-N

Canonical SMILES:CC(C)C1=C(C=C(C=C1)C(=O)O)I

Specification

98%
References

PCT Int. Appl. (2014), WO 2014194667 A1 20141211. 

PCT Int. Appl. (2007), WO 2007092681 A2 20070816. 
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