chempirical

Sodium o-fluorobenzoate

C7H4FNaO2CAS 490-97-1162.10 g/mol

Open in Covalent MOL file
O−OFNa+
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4FNaO2
Molar mass
162.10 g/mol
Exact mass
162.0093 Da
logP
1.14Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
490-97-1
SMILES
[O-]C(=O)c1ccccc1F.[Na+]
InChIKey
YIZOXOUTDFWAOL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);

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Names and synonyms

4 names
  • Benzoic acid, 2-fluoro-, sodium salt (1:1)
  • Benzoic acid, o-fluoro-, sodium salt
  • Benzoic acid, 2-fluoro-, sodium salt
  • Sodium 2-fluorobenzoate

Work with Sodium o-fluorobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoic acid, 2,3,4-trifluoro-, sodium salt (1:1)402955-41-359 % similar Sodium salicylate54-21-758 % similar Sodium benzoate532-32-152 % similar Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, sodium salt (1:1)1701446-41-451 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-249 % similar 2-Fluorobenzoyl chloride393-52-248 % similar 2′-Fluoroacetophenone445-27-248 % similar 2-Fluorobenzoic acid445-29-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium m-fluorobenzoate499-57-0 Sodium p-fluorobenzoate499-90-1

Elsewhere

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