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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4BrN
Molecular Weight 182.017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromobenzonitrile

SMILES

BrC1=CC=C(C=C1)C#N

InChI

InChIKey=HQSCPPCMBMFJJN-UHFFFAOYSA-N
InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4BrN
Molecular Weight 182.017
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 20:17:25 GMT 2025
Edited
by admin
on Tue Apr 01 20:17:25 GMT 2025
Record UNII
32L8XG37J4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-3978
Preferred Name English
4-Bromobenzonitrile
Systematic Name English
1-Bromo-4-cyanobenzene
Systematic Name English
p-Bromobenzonitrile
Systematic Name English
AI3-00488
Code English
Benzonitrile, 4-bromo-
Systematic Name English
Benzonitrile, p-bromo-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-764-9
Created by admin on Tue Apr 01 20:17:25 GMT 2025 , Edited by admin on Tue Apr 01 20:17:25 GMT 2025
PRIMARY
FDA UNII
32L8XG37J4
Created by admin on Tue Apr 01 20:17:25 GMT 2025 , Edited by admin on Tue Apr 01 20:17:25 GMT 2025
PRIMARY
CAS
623-00-7
Created by admin on Tue Apr 01 20:17:25 GMT 2025 , Edited by admin on Tue Apr 01 20:17:25 GMT 2025
PRIMARY
PUBCHEM
12162
Created by admin on Tue Apr 01 20:17:25 GMT 2025 , Edited by admin on Tue Apr 01 20:17:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID60211352
Created by admin on Tue Apr 01 20:17:25 GMT 2025 , Edited by admin on Tue Apr 01 20:17:25 GMT 2025
PRIMARY
NSC
3978
Created by admin on Tue Apr 01 20:17:25 GMT 2025 , Edited by admin on Tue Apr 01 20:17:25 GMT 2025
PRIMARY