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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12FNO
Molecular Weight 217.2389
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANECARBONITRILE

SMILES

FC1=CC=C(C=C1)C2(CCC(=O)CC2)C#N

InChI

InChIKey=FNWWTNNFZGBMEM-UHFFFAOYSA-N
InChI=1S/C13H12FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4H,5-8H2

HIDE SMILES / InChI

Molecular Formula C13H12FNO
Molecular Weight 217.2389
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 12:18:36 UTC 2023
Edited
by admin
on Sat Dec 16 12:18:36 UTC 2023
Record UNII
2K2RPS539D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANECARBONITRILE
Systematic Name English
4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXAN-1-ONE
Systematic Name English
CYCLOHEXANECARBONITRILE, 1-(4-FLUOROPHENYL)-4-OXO-
Systematic Name English
4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXANONE
Systematic Name English
LEVOCABASTINE HYDROCHLORIDE IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
56326-98-8
Created by admin on Sat Dec 16 12:18:36 UTC 2023 , Edited by admin on Sat Dec 16 12:18:36 UTC 2023
PRIMARY
FDA UNII
2K2RPS539D
Created by admin on Sat Dec 16 12:18:36 UTC 2023 , Edited by admin on Sat Dec 16 12:18:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID3057777
Created by admin on Sat Dec 16 12:18:36 UTC 2023 , Edited by admin on Sat Dec 16 12:18:36 UTC 2023
PRIMARY
PUBCHEM
91805
Created by admin on Sat Dec 16 12:18:36 UTC 2023 , Edited by admin on Sat Dec 16 12:18:36 UTC 2023
PRIMARY
ECHA (EC/EINECS)
260-111-7
Created by admin on Sat Dec 16 12:18:36 UTC 2023 , Edited by admin on Sat Dec 16 12:18:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP