U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H3Cl4NO2
Molecular Weight 298.938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2,3,4,5-TETRACHLORO-6-CYANOBENZOATE

SMILES

COC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C#N

InChI

InChIKey=XYQXGZLLGNQFSL-UHFFFAOYSA-N
InChI=1S/C9H3Cl4NO2/c1-16-9(15)4-3(2-14)5(10)7(12)8(13)6(4)11/h1H3

HIDE SMILES / InChI

Molecular Formula C9H3Cl4NO2
Molecular Weight 298.938
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 Mon Mar 31 18:55:27 GMT 2025
Edited
by admin
on Mon Mar 31 18:55:27 GMT 2025
Record UNII
1EN403O0KH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2,3,4,5-TETRACHLORO-6-CYANOBENZOATE
Systematic Name English
BENZOIC ACID, 2,3,4,5-TETRACHLORO-6-CYANO-, METHYL ESTER
Preferred Name English
METHYL 3,4,5,6-TETRACHLORO-2-CYANOBENZOATE
Systematic Name English
METHYL 3,4,5,6-TETRACHLOROCYANOBENZOATE
Systematic Name English
METHYL 2-CYANO-3,4,5,6-TETRACHLOROBENZOATE
Systematic Name English
METHYL TETRACHLORO-O-CYANOBENZOATE
Common Name English
Code System Code Type Description
FDA UNII
1EN403O0KH
Created by admin on Mon Mar 31 18:55:27 GMT 2025 , Edited by admin on Mon Mar 31 18:55:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID0063814
Created by admin on Mon Mar 31 18:55:27 GMT 2025 , Edited by admin on Mon Mar 31 18:55:27 GMT 2025
PRIMARY
PUBCHEM
79319
Created by admin on Mon Mar 31 18:55:27 GMT 2025 , Edited by admin on Mon Mar 31 18:55:27 GMT 2025
PRIMARY
CAS
5358-06-5
Created by admin on Mon Mar 31 18:55:27 GMT 2025 , Edited by admin on Mon Mar 31 18:55:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-344-3
Created by admin on Mon Mar 31 18:55:27 GMT 2025 , Edited by admin on Mon Mar 31 18:55:27 GMT 2025
PRIMARY