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| CAS No.: | 1287-17-8 |
|---|---|
| Name: | Ferrocenecarboxamide |
| Molecular Structure: | |
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| Formula: | C11H11FeNO |
| Molecular Weight: | 229.06 |
| Synonyms: | Ferrocenecarboxamide(8CI);Iron, (carbamoylcyclopentadienyl)cyclopentadienyl- (6CI,7CI);Cyclopentadienecarboxamide, cyclopentadienyliron deriv.; |
| Boiling Point: | 308.8 °C at 760 mmHg |
| Flash Point: | 140.6 °C |
| Appearance: | orange power |
| PSA: | 43.09000 |
| LogP: | 1.59630 |
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Specification
The Ferrocenecarboxamide, with the CAS registry number 1287-17-8, is also known as NSC403190. This chemical's molecular formula is C11H11FeNO and molecular weight is 229.06. Its systematic name is called iron(2+) 3-carbamoylcyclopenta-2,4-dienide cyclopenta-2,4-dienide (1:1:1).
Physical properties of Ferrocenecarboxamide: (1)ACD/LogP: -0.24; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 20.31 Å2; (6)Flash Point: 140.6 °C; (7)Enthalpy of Vaporization: 54.95 kJ/mol; (8)Boiling Point: 308.8 °C at 760 mmHg; (9)Vapour Pressure: 0.000665 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+2].O=C(N)c1c[c-]cc1.c1c[c-]cc1
(2)InChI: InChI=1/C6H6NO.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H,(H2,7,8);1-5H;/q2*-1;+2
(3)InChIKey: VODQOANLDBWYAB-UHFFFAOYAC