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Ethynylferrocene

CAT: 0013-GTR19268508-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268508-02Size:50 mg
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Description
Ethynylferrocene (Ferrocenylacetylene) is a click chemistry agent used in marking hairpin-shaped DNA probes via a Cu (I) catalyzed azide-alkyne cycloaddition reaction (CuAAC) to monitor DNA hybridization.
CAS Number
1271-47-2
Smiles
[Fe++].c1cc[cH-]c1.C#C[c-]1cccc1
Molecular Formula
C12H10Fe
Molecular Weight
210.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethynylferrocene

structure in first source

CAS Number1271-47-2
PubChem CID71311525
IUPAC Namecyclopenta-1,3-diene;2-ethynylcyclopenta-1,3-diene;iron(2+)
Molecular FormulaC12H10Fe
Molecular Weight210.05
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity99
SMILES
C#CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C7H5.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h1,3-6H;1-5H;/q2*-1;+2
InChIKey
BXSUNBWPHNMDRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethynylferrocene
CAS: 1271-47-2
CID: 71311525
Formula: C12H10Fe
MW: 210.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.05
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass210.013186
Monoisotopic Mass210.013186
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity99.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
275536-01Ethynylferrocene
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TRC-E937105-500MGEthynylferrocene (>90%)

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