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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10FNO2
Molecular Weight 207.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Cyano-5-fluoro-?,?-dimethylbenzeneacetic acid

SMILES

CC(C)(C(O)=O)C1=CC(F)=CC(=C1)C#N

InChI

InChIKey=DLBRIENUPFYVKY-UHFFFAOYSA-N
InChI=1S/C11H10FNO2/c1-11(2,10(14)15)8-3-7(6-13)4-9(12)5-8/h3-5H,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C11H10FNO2
Molecular Weight 207.201
Charge 0
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 19:45:08 GMT 2025
Edited
by admin
on Wed Apr 02 19:45:08 GMT 2025
Record UNII
9ZYB4SX8CU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Cyano-5-fluoro-?,?-dimethylbenzeneacetic acid
Systematic Name English
Benzeneacetic acid, 3-cyano-5-fluoro-?,?-dimethyl-
Preferred Name English
Code System Code Type Description
CAS
1314656-42-2
Created by admin on Wed Apr 02 19:45:08 GMT 2025 , Edited by admin on Wed Apr 02 19:45:08 GMT 2025
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PUBCHEM
65815154
Created by admin on Wed Apr 02 19:45:08 GMT 2025 , Edited by admin on Wed Apr 02 19:45:08 GMT 2025
PRIMARY
FDA UNII
9ZYB4SX8CU
Created by admin on Wed Apr 02 19:45:08 GMT 2025 , Edited by admin on Wed Apr 02 19:45:08 GMT 2025
PRIMARY