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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9IO2
Molecular Weight 276.071
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-iodo-4-methylbenzoate

SMILES

COC(=O)C1=CC(I)=C(C)C=C1

InChI

InChIKey=NKMHAOTZPFVSPC-UHFFFAOYSA-N
InChI=1S/C9H9IO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Methyl 3-iodo-4-methylbenzoate
Systematic Name English
Benzoic acid, 3-iodo-4-methyl-, methyl ester
Systematic Name English
p-Toluic acid, 3-iodo-, methyl ester
Systematic Name English
Methyl 3-iodo-4-methylbenzoic acid
Systematic Name English
3-Iodo-4-methylbenzoic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
13614033
Created by admin on Sat Dec 16 19:51:12 GMT 2023 , Edited by admin on Sat Dec 16 19:51:12 GMT 2023
PRIMARY
FDA UNII
8WLV4P4HCA
Created by admin on Sat Dec 16 19:51:12 GMT 2023 , Edited by admin on Sat Dec 16 19:51:12 GMT 2023
PRIMARY
CAS
90347-66-3
Created by admin on Sat Dec 16 19:51:12 GMT 2023 , Edited by admin on Sat Dec 16 19:51:12 GMT 2023
PRIMARY
NIH
NCATS
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