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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13Cl3O2
Molecular Weight 295.589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-Trichlorophenyl caproate

SMILES

CCCCCC(=O)OC1=C(Cl)C=C(Cl)C(Cl)=C1

InChI

InChIKey=BLCJVOCWIVMUCP-UHFFFAOYSA-N
InChI=1S/C12H13Cl3O2/c1-2-3-4-5-12(16)17-11-7-9(14)8(13)6-10(11)15/h6-7H,2-5H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2,4,5-Trichlorophenyl caproate
Systematic Name English
Hexanoic acid, 2,4,5-trichlorophenyl ester
Preferred Name English
2,4,5-Trichlorophenyl hexanoate
Systematic Name English
(2,4,5-Trichlorophenyl) hexanoate
Systematic Name English
Code System Code Type Description
CAS
16508-93-3
Created by admin on Mon Mar 31 18:09:42 GMT 2025 , Edited by admin on Mon Mar 31 18:09:42 GMT 2025
PRIMARY
PUBCHEM
27897
Created by admin on Mon Mar 31 18:09:42 GMT 2025 , Edited by admin on Mon Mar 31 18:09:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID60274841
Created by admin on Mon Mar 31 18:09:42 GMT 2025 , Edited by admin on Mon Mar 31 18:09:42 GMT 2025
PRIMARY
FDA UNII
89N6WPX7GF
Created by admin on Mon Mar 31 18:09:42 GMT 2025 , Edited by admin on Mon Mar 31 18:09:42 GMT 2025
PRIMARY
NIH
NCATS
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