CAS
331971-81-4 Purity
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331971-81-4 Purity
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trans-4-[2-(1-Ferrocenyl)vinyl]-1-methylpyridinium iodide
CAS
33197-77-2
Catalog Number
ACM33197772
Category
Other Products
Molecular Weight
431.098g/mol
Molecular Formula
C18H18FeIN;
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Specification
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;
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
4
Exact Mass
430.983g/mol
H-Bond Acceptor
3
Heavy Atom Count
21
Monoisotopic Mass
430.983g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
3.2A^2
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