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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H3Cl2NO
Molecular Weight 200.022
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DICHLOROBENZOYL NITRILE

SMILES

ClC1=CC=CC(C(=O)C#N)=C1Cl

InChI

InChIKey=FIBBFBXFASKAON-UHFFFAOYSA-N
InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H

HIDE SMILES / InChI

Molecular Formula C8H3Cl2NO
Molecular Weight 200.022
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 10:26:51 UTC 2023
Edited
by admin
on Sat Dec 16 10:26:51 UTC 2023
Record UNII
3K95NM9ZHZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DICHLOROBENZOYL NITRILE
Common Name English
2,3-DICHLOROBENZOYL CYANIDE
Common Name English
(2,3-DICHLOROPHENYL)OXOACETONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
3K95NM9ZHZ
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
PUBCHEM
2735968
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
CAS
77668-42-9
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID80228306
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY
ECHA (EC/EINECS)
278-747-9
Created by admin on Sat Dec 16 10:26:51 UTC 2023 , Edited by admin on Sat Dec 16 10:26:51 UTC 2023
PRIMARY