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Details

Stereochemistry RACEMIC
Molecular Formula C15H13Cl3O3
Molecular Weight 347.621
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2,2,2-TRICHLORO-1-(4-METHOXYPHENYL)ETHYL)-1,2-BENZENEDIOL

SMILES

COC1=CC=C(C=C1)C(C2=CC(O)=C(O)C=C2)C(Cl)(Cl)Cl

InChI

InChIKey=CFAVOGVJXCIQLR-UHFFFAOYSA-N
InChI=1S/C15H13Cl3O3/c1-21-11-5-2-9(3-6-11)14(15(16,17)18)10-4-7-12(19)13(20)8-10/h2-8,14,19-20H,1H3

HIDE SMILES / InChI

Molecular Formula C15H13Cl3O3
Molecular Weight 347.621
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:14:13 GMT 2025
Edited
by admin
on Wed Apr 02 08:14:13 GMT 2025
Record UNII
O7WE9AVO29
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2,2,2-TRICHLORO-1-(4-METHOXYPHENYL)ETHYL)-1,2-BENZENEDIOL
Systematic Name English
CATECHOL METHOXYCHLOR
Preferred Name English
1,2-BENZENEDIOL, 4-(2,2,2-TRICHLORO-1-(4-METHOXYPHENYL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
159899-72-6
Created by admin on Wed Apr 02 08:14:13 GMT 2025 , Edited by admin on Wed Apr 02 08:14:13 GMT 2025
PRIMARY
FDA UNII
O7WE9AVO29
Created by admin on Wed Apr 02 08:14:13 GMT 2025 , Edited by admin on Wed Apr 02 08:14:13 GMT 2025
PRIMARY
PUBCHEM
86178807
Created by admin on Wed Apr 02 08:14:13 GMT 2025 , Edited by admin on Wed Apr 02 08:14:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE