Ferric benzoate

C21H15FeO6CAS 14534-87-3419.19 g/mol

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O−OO−OO−OFe3+
Carboxylic acid

Properties

Molecular formula
C21H15FeO6
Molar mass
419.19 g/mol
Exact mass
419.0218 Da
logP
1.38Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14534-87-3
SMILES
[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[Fe+3]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

4 names
  • Benzoic acid, iron(3+) salt (3:1)
  • Benzoic acid, iron(3+) salt
  • Iron benzoate, Fe(OBz)3
  • Iron(III) benzoate

Work with Ferric benzoate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzoic acid65-85-0Free acid Denatonium3734-33-6Salt Sodium benzoate532-32-1Salt Ammonium benzoate1863-63-4Salt Calcium benzoate2090-05-3Salt Potassium benzoate582-25-2Salt Emamectin benzoate137512-74-4Salt Emamectin benzoate155569-91-8Salt Rizatriptan benzoate145202-66-0Salt Mercury benzoate583-15-3Salt Silver benzoate532-31-0Salt Zinc benzoate553-72-0Salt

Similar compounds

1-Benzyl-3-carboxypyridinium hydroxide inner salt15990-43-947 % similar Sodium m-fluorobenzoate499-57-045 % similar Trigonelline535-83-145 % similar Sodium nicotinate54-86-445 % similar Chromium nicotinate64452-96-645 % similar Sodium p-hydroxybenzoate114-63-645 % similar Potassium p-aminobenzoate138-84-145 % similar Sodium p-fluorobenzoate499-90-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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