Ferroceneboronic acid

C₁₀H₁₁BFeO₂CAS 12152-94-2229.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁BFeO₂
Molar mass: 229.85 g/mol
Exact mass: 230.0201 Da
Melting point: 136–140 °C (decomposes)
logP: 0.74Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

12152-94-2

SMILES

O[B-](O)=C1C=CC=C1.[Fe+2].c1cc[cH-]c1

InChIKey

XCHXIPVWFCEEMB-UHFFFAOYSA-N

InChI

InChI=1S/C5H6BO2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/q2*-1;+2

Weigh it out

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

Names and synonyms

6 names

Ferrocene, borono-
Iron, (boronocyclopentadienyl)cyclopentadienyl-
Boronoferrocene
Cyclopentadieneboronic acid, cyclopentadienyliron deriv.
Ferrocenylboronic acid
NSC 119337

Work with Ferroceneboronic acid

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

Ferrocene102-54-544 % similar Ferrocenecarboxaldehyde12093-10-633 % similar Ferrocenecarboxylic acid1271-42-732 % similar Vinylferrocene1271-51-831 % similar Acetylferrocene1271-55-231 % similar

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

Elsewhere

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