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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5Cl3O2
Molecular Weight 239.483
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2,3,6-trichlorobenzoate

SMILES

COC(=O)C1=C(Cl)C(Cl)=CC=C1Cl

InChI

InChIKey=OAWDHDKEHFFNQQ-UHFFFAOYSA-N
InChI=1S/C8H5Cl3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C8H5Cl3O2
Molecular Weight 239.483
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 Sat Dec 16 13:18:03 GMT 2023
Edited
by admin
on Sat Dec 16 13:18:03 GMT 2023
Record UNII
5JM9JLC9LT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2,3,6-trichlorobenzoate
Systematic Name English
Benzoic acid, 2,3,6-trichloro-, methyl ester
Common Name English
2,3,6-Trichlorobenzoic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
610661
Created by admin on Sat Dec 16 13:18:03 GMT 2023 , Edited by admin on Sat Dec 16 13:18:03 GMT 2023
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FDA UNII
5JM9JLC9LT
Created by admin on Sat Dec 16 13:18:03 GMT 2023 , Edited by admin on Sat Dec 16 13:18:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID50346248
Created by admin on Sat Dec 16 13:18:03 GMT 2023 , Edited by admin on Sat Dec 16 13:18:03 GMT 2023
PRIMARY
CAS
2694-06-6
Created by admin on Sat Dec 16 13:18:03 GMT 2023 , Edited by admin on Sat Dec 16 13:18:03 GMT 2023
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