Ferrocenecarboxaldehyde

C₁₁H₁₀FeOCAS 12093-10-6214.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀FeO
Molar mass: 214.05 g/mol
Exact mass: 214.0081 Da
Melting point: 120 °C
logP: 2.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

12093-10-6

SMILES

O=C[c-]1cccc1.[Fe+2].c1cc[cH-]c1

InChIKey

MQHZGUNMWQBVDK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2

Weigh it out

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Names and synonyms

12 names

Ferrocene, formyl-
Iron, cyclopentadienyl(formylcyclopentadienyl)-
Formylferrocene
Cyclopentadienecarboxaldehyde, cyclopentadienyliron deriv.
Formyldicyclopentadienyliron
Ferrocenecarbaldehyde
2-Ferrocenecarboxaldehyde
Ferrocenylcarbaldehyde
1-Formylferrocene
Ferrocenylcarboxaldehyde
NSC 407052
Ferrocene-1-carboxaldehyde

Work with Ferrocenecarboxaldehyde

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

Ferrocene102-54-548 % similar Acetylferrocene1271-55-244 % similar Vinylferrocene1271-51-836 % similar Ferroceneboronic acid12152-94-233 % similar Ferrocenecarboxylic acid1271-42-733 % similar Ethylferrocene1273-89-832 % similar Ferroceneacetic acid1287-16-731 % similar Chromocene1271-24-531 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook