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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N2O2
Molecular Weight 162.1454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-Nitrophenyl)acetonitrile

SMILES

[O-][N+](=O)C1=CC(CC#N)=CC=C1

InChI

InChIKey=WAVKEPUFQMUGBP-UHFFFAOYSA-N
InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2

HIDE SMILES / InChI

Molecular Formula C8H6N2O2
Molecular Weight 162.1454
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 20:07:21 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:21 GMT 2023
Record UNII
5EA3YNQ4KV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-Nitrophenyl)acetonitrile
Systematic Name English
3-Nitrobenzyl cyanide
Systematic Name English
3-Nitrobenzeneacetonitrile
Systematic Name English
NSC-91037
Code English
(m-Nitrophenyl)acetonitrile
Systematic Name English
Benzeneacetonitrile, 3-nitro-
Systematic Name English
Code System Code Type Description
CAS
621-50-1
Created by admin on Sat Dec 16 20:07:22 GMT 2023 , Edited by admin on Sat Dec 16 20:07:22 GMT 2023
PRIMARY
FDA UNII
5EA3YNQ4KV
Created by admin on Sat Dec 16 20:07:22 GMT 2023 , Edited by admin on Sat Dec 16 20:07:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID20211151
Created by admin on Sat Dec 16 20:07:22 GMT 2023 , Edited by admin on Sat Dec 16 20:07:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-689-1
Created by admin on Sat Dec 16 20:07:22 GMT 2023 , Edited by admin on Sat Dec 16 20:07:22 GMT 2023
PRIMARY
NSC
91037
Created by admin on Sat Dec 16 20:07:22 GMT 2023 , Edited by admin on Sat Dec 16 20:07:22 GMT 2023
PRIMARY
PUBCHEM
12125
Created by admin on Sat Dec 16 20:07:22 GMT 2023 , Edited by admin on Sat Dec 16 20:07:22 GMT 2023
PRIMARY
Related Record Type Details
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