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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12NO.I
Molecular Weight 289.1129
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Ethyl-2-methylbenzoxazolium iodide

SMILES

[I-].CC[N+]1=C(C)OC2=C1C=CC=C2

InChI

InChIKey=UZWYLWSUBQEUMC-UHFFFAOYSA-M
InChI=1S/C10H12NO.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12NO
Molecular Weight 162.2084
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:10:32 GMT 2025
Edited
by admin
on Wed Apr 02 09:10:32 GMT 2025
Record UNII
RPH3YF54CY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Ethyl-2-methylbenzoxazolium iodide
Systematic Name English
3-Ethyl-2-methylbenzooxazolium iodide
Preferred Name English
Benzoxazolium, 3-ethyl-2-methyl-, iodide (1:1)
Systematic Name English
Code System Code Type Description
CAS
5260-37-7
Created by admin on Wed Apr 02 09:10:32 GMT 2025 , Edited by admin on Wed Apr 02 09:10:32 GMT 2025
PRIMARY
FDA UNII
RPH3YF54CY
Created by admin on Wed Apr 02 09:10:32 GMT 2025 , Edited by admin on Wed Apr 02 09:10:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID60884141
Created by admin on Wed Apr 02 09:10:32 GMT 2025 , Edited by admin on Wed Apr 02 09:10:32 GMT 2025
PRIMARY
PUBCHEM
21331
Created by admin on Wed Apr 02 09:10:32 GMT 2025 , Edited by admin on Wed Apr 02 09:10:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE