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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5Cl3O2
Molecular Weight 227.472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,6-TRICHLOROGUAIACOL

SMILES

COC1=C(O)C(Cl)=CC(Cl)=C1Cl

InChI

InChIKey=HYCQPRXDNCTPOU-UHFFFAOYSA-N
InChI=1S/C7H5Cl3O2/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2,11H,1H3

HIDE SMILES / InChI

Molecular Formula C7H5Cl3O2
Molecular Weight 227.472
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 Fri Dec 15 19:48:34 GMT 2023
Edited
by admin
on Fri Dec 15 19:48:34 GMT 2023
Record UNII
UN00674X0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,6-TRICHLOROGUAIACOL
Systematic Name English
3,4,6-TRICHLORO-2-METHOXYPHENOL
Systematic Name English
TRICHLOROGUAIACOL
Systematic Name English
Code System Code Type Description
PUBCHEM
43407
Created by admin on Fri Dec 15 19:48:34 GMT 2023 , Edited by admin on Fri Dec 15 19:48:34 GMT 2023
PRIMARY
CAS
60712-44-9
Created by admin on Fri Dec 15 19:48:34 GMT 2023 , Edited by admin on Fri Dec 15 19:48:34 GMT 2023
PRIMARY
CAS
61966-36-7
Created by admin on Fri Dec 15 19:48:34 GMT 2023 , Edited by admin on Fri Dec 15 19:48:34 GMT 2023
NON-SPECIFIC SUBSTITUTION
EPA CompTox
DTXSID70858813
Created by admin on Fri Dec 15 19:48:34 GMT 2023 , Edited by admin on Fri Dec 15 19:48:34 GMT 2023
PRIMARY
FDA UNII
UN00674X0V
Created by admin on Fri Dec 15 19:48:34 GMT 2023 , Edited by admin on Fri Dec 15 19:48:34 GMT 2023
PRIMARY