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| CAS No.: | 1273-84-3 |
|---|---|
| Name: | Cyanoferrocene |
| Molecular Structure: | |
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| Formula: | C11H9FeN |
| Molecular Weight: | 211.04 |
| Synonyms: | Ferrocenecarbonitrile(8CI);Iron, (cyanocyclopentadienyl)cyclopentadienyl- (6CI,7CI);1-Cyanoferrocene;Cyanoferrocene;Cyclopentadienecarbonitrile,cyclopentadienyliron deriv.;Ferrocenyl cyanide;Ferrocenylnitrile; |
| Melting Point: | 107-108℃ |
| PSA: | 23.79000 |
| LogP: | 1.93428 |
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Specification
The Ferrocene, cyano- is an organic compound with the formula C11H9FeN. The systematic name of this chemical is (2-cyanocyclopenta-2,4-dien-1-yl)-cyclopenta-2,4-dien-1-yl-iron. With the CAS registry number 1273-84-3, it is also named as cyanoferrocene.
Physical properties about Ferrocene, cyano- are: (1)#H bond acceptors: 1; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 23.79 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(C=C1)[Fe]C2C=CC=C2C#N
(2)InChI: InChI=1/C6H4N.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H;1-5H;/rC11H9FeN/c13-8-9-4-3-7-11(9)12-10-5-1-2-6-10/h1-7,10-11H
(3)InChIKey: PHMXECUYNSSRNZ-ZRCTZSMTAZ
(4)Std. InChI: InChI=1S/C6H4N.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H;1-5H;
(5)Std. InChIKey: PHMXECUYNSSRNZ-UHFFFAOYSA-N