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Name	Ferrocenecarboxamide	EINECS	N/A
CAS No.	1287-17-8	Density	N/A
PSA	43.09000	LogP	1.59630
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₁₁FeNO	Boiling Point	308.8 °C at 760 mmHg
Molecular Weight	229.06	Flash Point	140.6 °C
Transport Information	N/A	Appearance	orange power
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Ferrocenecarboxamide(8CI);Iron, (carbamoylcyclopentadienyl)cyclopentadienyl- (6CI,7CI);Cyclopentadienecarboxamide, cyclopentadienyliron deriv.;

Ferrocenecarboxamide 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

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