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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7Cl3O2
Molecular Weight 241.499
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHOXY-1,3,4-TRICHLOROBENZENE

SMILES

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

InChI

InChIKey=DUFMNUZVJOWJAI-UHFFFAOYSA-N
InChI=1S/C8H7Cl3O2/c1-12-5-3-4(9)8(13-2)7(11)6(5)10/h3H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H7Cl3O2
Molecular Weight 241.499
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 19:42:52 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:52 GMT 2023
Record UNII
4A5M391L25
Record Status Validated (UNII)
Record Version
  • Download
Related Record Type
Name Type Language
2,5-DIMETHOXY-1,3,4-TRICHLOROBENZENE
Systematic Name English
2,3,5-TRICHLORO-1,4-DIMETHOXYBENZENE
Systematic Name English
TRICHLORO-1,4-DIMETHOXYBENZENE
Systematic Name English
1,3,4-TRICHLORO-2,5-DIMETHOXYBENZENE
Systematic Name English
BENZENE, 1,3,4-TRICHLORO-2,5-DIMETHOXY-
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 203500
Created by admin on Fri Dec 15 19:42:53 GMT 2023 , Edited by admin on Fri Dec 15 19:42:53 GMT 2023
Code System Code Type Description
CAS
69653-71-0
Created by admin on Fri Dec 15 19:42:53 GMT 2023 , Edited by admin on Fri Dec 15 19:42:53 GMT 2023
PRIMARY
PUBCHEM
43666
Created by admin on Fri Dec 15 19:42:53 GMT 2023 , Edited by admin on Fri Dec 15 19:42:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID50867842
Created by admin on Fri Dec 15 19:42:53 GMT 2023 , Edited by admin on Fri Dec 15 19:42:53 GMT 2023
PRIMARY
FDA UNII
4A5M391L25
Created by admin on Fri Dec 15 19:42:53 GMT 2023 , Edited by admin on Fri Dec 15 19:42:53 GMT 2023
PRIMARY
Related Record Type Details
SUB_CONCEPT->SUBSTANCE