Ferroceneboronic acid

C10H11BFeO2CAS 12152-94-2229.85 g/mol

Open in Covalent MOL file
HOB−HOFe2+HC−
Alkene

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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

PubChem CAS Common Chemistry NIST WebBook