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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClN
Molecular Weight 137.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chlorobenzonitrile

SMILES

ClC1=CC(=CC=C1)C#N

InChI

InChIKey=WBUOVKBZJOIOAE-UHFFFAOYSA-N
InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4ClN
Molecular Weight 137.566
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 20:12:09 GMT 2023
Edited
by admin
on Sat Dec 16 20:12:09 GMT 2023
Record UNII
LD58GX58VW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Chlorobenzonitrile
Systematic Name English
NSC-59733
Code English
m-Chlorobenzonitrile
Systematic Name English
Benzonitrile, m-chloro-
Systematic Name English
Benzonitrile, 3-chloro-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20227414
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
PRIMARY
CAS
766-84-7
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
PRIMARY
NSC
59733
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
PRIMARY
PUBCHEM
13015
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
PRIMARY
FDA UNII
LD58GX58VW
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-172-6
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY