Sodium p-fluorobenzoate

C₇H₄FNaO₂CAS 499-90-1162.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

499-90-1

SMILES

[O-]C(=O)c1ccc(F)cc1.[Na+]

InChIKey

PYBQYOXIYOJLHX-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 4-fluoro-, sodium salt (1:1)
Benzoic acid, p-fluoro-, sodium salt
Benzoic acid, 4-fluoro-, sodium salt
Sodium 4-fluorobenzoate

Work with Sodium p-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

Sodium benzoate532-32-161 % similar Sodium P-hydroxybenzoate114-63-660 % similar Sodium P-aminobenzoate555-06-660 % similar 4-Trifluoromethylbenzoic acid sodium salt25832-58-059 % similar 4,4'-Difluorobenzophenone345-92-650 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-550 % similar 4-Fluorobenzamide824-75-947 % similar Sodium nicotinate54-86-446 % similar

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

Same formula

Sodium o-fluorobenzoate490-97-1 Sodium m-fluorobenzoate499-57-0

Elsewhere

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