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CAS Number: 91131-72-5
4-(tert-butyl)-3-iodobenzoic acid

Structure

4-(tert-butyl)-3-iodobenzoic acid
Name: 4-(tert-butyl)-3-iodobenzoic acid
Synonyms:
General Information
Product Number: 91131725

CAS Registry Number 91131-72-5
Name:
Benzoic acid, 4-?(1,?1-?dimethylethyl)?-?3-?iodo-
Benzoic acid, 4-tert-butyl-3-iodo- (7CI)

 

Chemical Formula: C11H13IO2
Exact Mass: 304.00
Molecular Weight: 304.12
m/z: 304.00 (100.0%), 305.00 (12.1%), 306.00 (1.1%)

 

InChI:InChI=1S/C11H13IO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)

InChI Key:RKQXGGKRIINFTM-UHFFFAOYSA-N

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

Specification

98%

References

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

Faming Zhuanli Shenqing (2014), CN 104211639 A 20141217.                                  

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