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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6BrNO2
Molecular Weight 240.053
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Acetyloxy)-3-bromobenzonitrile

SMILES

CC(=O)OC1=C(Br)C=CC=C1C#N

InChI

InChIKey=FRBQZWGAQSPOSP-UHFFFAOYSA-N
InChI=1S/C9H6BrNO2/c1-6(12)13-9-7(5-11)3-2-4-8(9)10/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C9H6BrNO2
Molecular Weight 240.053
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 19:22:08 GMT 2025
Edited
by admin
on Wed Apr 02 19:22:08 GMT 2025
Record UNII
2JUQ2TS9XY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Acetyloxy)-3-bromobenzonitrile
Systematic Name English
Acetic acid-2-bromo-6-cyanophenyl ester
Preferred Name English
Code System Code Type Description
FDA UNII
2JUQ2TS9XY
Created by admin on Wed Apr 02 19:22:08 GMT 2025 , Edited by admin on Wed Apr 02 19:22:08 GMT 2025
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CAS
1195591-17-3
Created by admin on Wed Apr 02 19:22:08 GMT 2025 , Edited by admin on Wed Apr 02 19:22:08 GMT 2025
PRIMARY
PUBCHEM
118078088
Created by admin on Wed Apr 02 19:22:08 GMT 2025 , Edited by admin on Wed Apr 02 19:22:08 GMT 2025
PRIMARY