trans-4-[2-(1-Ferrocenyl)vinyl]-1-methylpyridinium iodide

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CAS
33197-77-2
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Catalog Number

ACM33197772

Product Name

trans-4-[2-(1-Ferrocenyl)vinyl]-1-methylpyridinium iodide

Structure

CAS

33197-77-2

Category

Heterocyclic Organic Compound

Synonyms

33197-77-2;DTXSID10746503;(E)-4-[2-(1-Ferrocenyl)vinyl]-1-methylpyridinium iodide;Iron(2+) iodide cyclopenta-2,4-dien-1-ide--4-[2-(cyclopenta-2,4-dien-1-ylidene)ethylidene]-1-methyl-1,4-dihydropyridine (1/1/1/1);

IUPAC Name

cyclopenta-1,3-diene;4-(2-cyclopenta-2,4-dien-1-ylideneethylidene)-1-methylpyridine;iron(2+);iodide;

Molecular Weight

431.098g/mol

Molecular Formula

C18H18FeIN;

Canonical SMILES

CN1C=CC(=CC=C2C=CC=C2)C=C1.[CH-]1C=CC=C1.[Fe+2].[I-];

InChI

InChI=1S/C13H13N.C5H5.Fe.HI/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;/h2-11H,1H3;1-5H;;1H/q;-1;+2;/p-1;

InChI Key

GUGIGQHYPSGPPN-UHFFFAOYSA-M;

Complexity

371

Covalently-Bonded Unit Count

Exact Mass

430.983g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

430.983g/mol

Rotatable Bond Count

Topological Polar Surface Area

3.2A^2

MSDS

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COA

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Spec Sheet

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