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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N2O2
Molecular Weight 230.2625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Nitrophenyl)cyclohexanecarbonitrile

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C2(CCCCC2)C#N

InChI

InChIKey=SPJWHGODDUYDNH-UHFFFAOYSA-N
InChI=1S/C13H14N2O2/c14-10-13(8-2-1-3-9-13)11-4-6-12(7-5-11)15(16)17/h4-7H,1-3,8-9H2

HIDE SMILES / InChI

Molecular Formula C13H14N2O2
Molecular Weight 230.2625
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 Wed Apr 02 17:57:03 GMT 2025
Edited
by admin
on Wed Apr 02 17:57:03 GMT 2025
Record UNII
LFD7678GEZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-Nitrophenyl)cyclohexanecarbonitrile
Systematic Name English
1-(4-Nitrophenyl)cyclohexane-1-carbonitrile
Preferred Name English
Cyclohexanecarbonitrile, 1-(4-nitrophenyl)-
Systematic Name English
Code System Code Type Description
CAS
96312-89-9
Created by admin on Wed Apr 02 17:57:03 GMT 2025 , Edited by admin on Wed Apr 02 17:57:03 GMT 2025
PRIMARY
FDA UNII
LFD7678GEZ
Created by admin on Wed Apr 02 17:57:03 GMT 2025 , Edited by admin on Wed Apr 02 17:57:03 GMT 2025
PRIMARY
PUBCHEM
404643923
Created by admin on Wed Apr 02 17:57:03 GMT 2025 , Edited by admin on Wed Apr 02 17:57:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY