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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3BrFO2.Na
Molecular Weight 240.99
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-bromo-2-fluorobenzoate

SMILES

[Na+].[O-]C(=O)C1=CC=CC(Br)=C1F

InChI

InChIKey=APBHFPHREVOBAY-UHFFFAOYSA-M
InChI=1S/C7H4BrFO2.Na/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H3BrFO2
Molecular Weight 218.0
Charge -1
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 20:12:27 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:27 GMT 2025
Record UNII
5TP3AVA9P3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 3-bromo-2-fluoro-, sodium salt (1:1)
Preferred Name English
Sodium 3-bromo-2-fluorobenzoate
Systematic Name English
Code System Code Type Description
CAS
2410068-92-5
Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025
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PUBCHEM
155906131
Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025
PRIMARY
FDA UNII
5TP3AVA9P3
Created by admin on Wed Apr 02 20:12:27 GMT 2025 , Edited by admin on Wed Apr 02 20:12:27 GMT 2025
PRIMARY