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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClN
Molecular Weight 151.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chlorobenzyl cyanide

SMILES

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

InChI

InChIKey=MRDUURPIPLIGQX-UHFFFAOYSA-N
InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6ClN
Molecular Weight 151.593
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 12:13:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:47 GMT 2023
Record UNII
3Y6ZL4BQ95
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chlorobenzyl cyanide
Common Name English
Benzeneacetonitrile, 2-chloro-
Systematic Name English
2-Chlorobenzeneacetonitrile
Systematic Name English
Acetonitrile, (o-chlorophenyl)-
Systematic Name English
(o-Chlorophenyl)acetonitrile
Systematic Name English
o-Chlorobenzyl cyanide
Common Name English
2-(2-chlorophenyl)acetonitrile
Systematic Name English
NSC-39462
Code English
Code System Code Type Description
NSC
39462
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
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FDA UNII
3Y6ZL4BQ95
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
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ECHA (EC/EINECS)
220-669-4
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
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CAS
2856-63-5
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
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PUBCHEM
76112
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
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EPA CompTox
DTXSID40182773
Created by admin on Sat Dec 16 12:13:47 GMT 2023 , Edited by admin on Sat Dec 16 12:13:47 GMT 2023
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