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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H5Cl5O
Molecular Weight 342.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',3,4',6-PENTACHLORODIPHENYL ETHER

SMILES

ClC1=CC=C(OC2=C(Cl)C=CC(Cl)=C2Cl)C(Cl)=C1

InChI

InChIKey=BRNKJDZWZYZVNM-UHFFFAOYSA-N
InChI=1S/C12H5Cl5O/c13-6-1-4-10(9(16)5-6)18-12-8(15)3-2-7(14)11(12)17/h1-5H

HIDE SMILES / InChI

Molecular Formula C12H5Cl5O
Molecular Weight 342.433
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 01:43:36 GMT 2023
Edited
by admin
on Sat Dec 16 01:43:36 GMT 2023
Record UNII
R97QAB7PN1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,4',6-PENTACHLORODIPHENYL ETHER
Common Name English
PCDE 91
Common Name English
Code System Code Type Description
CAS
116995-20-1
Created by admin on Sat Dec 16 01:43:36 GMT 2023 , Edited by admin on Sat Dec 16 01:43:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID50877022
Created by admin on Sat Dec 16 01:43:36 GMT 2023 , Edited by admin on Sat Dec 16 01:43:36 GMT 2023
PRIMARY
FDA UNII
R97QAB7PN1
Created by admin on Sat Dec 16 01:43:36 GMT 2023 , Edited by admin on Sat Dec 16 01:43:36 GMT 2023
PRIMARY
PUBCHEM
14935799
Created by admin on Sat Dec 16 01:43:36 GMT 2023 , Edited by admin on Sat Dec 16 01:43:36 GMT 2023
PRIMARY