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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8N2
Molecular Weight 168.1946
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1H-PYRROL-1-YL)BENZONITRILE

SMILES

N#CC1=CC=C(C=C1)N2C=CC=C2

InChI

InChIKey=OKVSZRKKRHNDOL-UHFFFAOYSA-N
InChI=1S/C11H8N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H

HIDE SMILES / InChI

Molecular Formula C11H8N2
Molecular Weight 168.1946
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 Tue Apr 01 20:01:37 GMT 2025
Edited
by admin
on Tue Apr 01 20:01:37 GMT 2025
Record UNII
379R1YD2SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-116795
Preferred Name English
4-(1H-PYRROL-1-YL)BENZONITRILE
Systematic Name English
4-(N-PYRROLO)BENZONITRILE
Systematic Name English
1-(4-CYANOPHENYL)PYRROLE
Systematic Name English
BENZONITRILE, P-PYRROL-1-YL-
Systematic Name English
1-(P-CYANOPHENYL)PYRROLE
Systematic Name English
4-(PYRROL-1-YL)BENZONITRILE
Systematic Name English
BENZONITRILE, 4-(1H-PYRROL-1-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70177915
Created by admin on Tue Apr 01 20:01:37 GMT 2025 , Edited by admin on Tue Apr 01 20:01:37 GMT 2025
PRIMARY
NSC
116795
Created by admin on Tue Apr 01 20:01:37 GMT 2025 , Edited by admin on Tue Apr 01 20:01:37 GMT 2025
PRIMARY
PUBCHEM
272424
Created by admin on Tue Apr 01 20:01:37 GMT 2025 , Edited by admin on Tue Apr 01 20:01:37 GMT 2025
PRIMARY
CAS
23351-07-7
Created by admin on Tue Apr 01 20:01:37 GMT 2025 , Edited by admin on Tue Apr 01 20:01:37 GMT 2025
PRIMARY
FDA UNII
379R1YD2SG
Created by admin on Tue Apr 01 20:01:37 GMT 2025 , Edited by admin on Tue Apr 01 20:01:37 GMT 2025
PRIMARY