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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 2-Bromobenzonitrile

SMILES

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

InChI

InChIKey=AFMPMSCZPVNPEM-UHFFFAOYSA-N
InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/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 Wed Apr 02 09:19:46 GMT 2025
Edited
by admin
on Wed Apr 02 09:19:46 GMT 2025
Record UNII
8LSJ4JR86W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-59730
Preferred Name English
2-Bromobenzonitrile
Systematic Name English
1-BROMO-2-CYANOBENZENE
Systematic Name English
BENZONITRILE, 2-BROMO-
Systematic Name English
1-CYANO-2-BROMOBENZENE
Systematic Name English
O-BROMOBENZONITRILE
Systematic Name English
O-BROMOCYANOBENZENE
Systematic Name English
2-CYANO-1-BROMOBENZENE
Systematic Name English
Code System Code Type Description
NSC
59730
Created by admin on Wed Apr 02 09:19:46 GMT 2025 , Edited by admin on Wed Apr 02 09:19:46 GMT 2025
PRIMARY
FDA UNII
8LSJ4JR86W
Created by admin on Wed Apr 02 09:19:46 GMT 2025 , Edited by admin on Wed Apr 02 09:19:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-045-1
Created by admin on Wed Apr 02 09:19:46 GMT 2025 , Edited by admin on Wed Apr 02 09:19:46 GMT 2025
PRIMARY
PUBCHEM
16272
Created by admin on Wed Apr 02 09:19:46 GMT 2025 , Edited by admin on Wed Apr 02 09:19:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID50174366
Created by admin on Wed Apr 02 09:19:46 GMT 2025 , Edited by admin on Wed Apr 02 09:19:46 GMT 2025
PRIMARY
CAS
2042-37-7
Created by admin on Wed Apr 02 09:19:46 GMT 2025 , Edited by admin on Wed Apr 02 09:19:46 GMT 2025
PRIMARY