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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 3-Bromobenzonitrile

SMILES

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

InChI

InChIKey=STXAVEHFKAXGOX-UHFFFAOYSA-N
InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)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 Tue Apr 01 17:28:34 GMT 2025
Edited
by admin
on Tue Apr 01 17:28:34 GMT 2025
Record UNII
9M38AQC7J8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Bromobenzonitrile
Systematic Name English
NSC-59731
Preferred Name English
Benzonitrile, 3-bromo-
Systematic Name English
m-Bromobenzonitrile
Systematic Name English
Benzonitrile, m-bromo-
Systematic Name English
Code System Code Type Description
CAS
6952-59-6
Created by admin on Tue Apr 01 17:28:34 GMT 2025 , Edited by admin on Tue Apr 01 17:28:34 GMT 2025
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FDA UNII
9M38AQC7J8
Created by admin on Tue Apr 01 17:28:34 GMT 2025 , Edited by admin on Tue Apr 01 17:28:34 GMT 2025
PRIMARY
PUBCHEM
23381
Created by admin on Tue Apr 01 17:28:34 GMT 2025 , Edited by admin on Tue Apr 01 17:28:34 GMT 2025
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NSC
59731
Created by admin on Tue Apr 01 17:28:34 GMT 2025 , Edited by admin on Tue Apr 01 17:28:34 GMT 2025
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EPA CompTox
DTXSID00219771
Created by admin on Tue Apr 01 17:28:34 GMT 2025 , Edited by admin on Tue Apr 01 17:28:34 GMT 2025
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ECHA (EC/EINECS)
230-127-9
Created by admin on Tue Apr 01 17:28:34 GMT 2025 , Edited by admin on Tue Apr 01 17:28:34 GMT 2025
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