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Name	2,2':6',2''-Terpyridine,4'-(4-nitrophenyl)-	EINECS	N/A
CAS No.	129077-51-6	Density	1.28 g/cm³
PSA	84.49000	LogP	5.30400
Solubility	N/A	Melting Point	158-159 °C(Solv: ethanol (64-17-5))
Formula	C₂₁H₁₄N₄O₂	Boiling Point	536.1 °C at 760 mmHg
Molecular Weight	354.368	Flash Point	278 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	4'-(4-Nitrophenyl)-2,2':6',2''-terpyridine;	Article Data	19

2,2':6',2''-Terpyridine,4'-(4-nitrophenyl)- Specification

The 2,2':6',2''-Terpyridine,4'-(4-nitrophenyl)-, with the CAS registry number 129077-51-6, is also known as 4'-(4-Nitrophenyl)-2,2':6',2''-terpyridin. This chemical's molecular formula is C₂₁H₁₄N₄O₂ and molecular weight is 354.36. Its systematic name is called 4'-(4-nitrophenyl)-2,2':6',2''-terpyridine.

Physical properties of 2,2':6',2''-Terpyridine,4'-(4-nitrophenyl)-: (1)ACD/LogP: 4.18; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.649; (5)Molar Refractivity: 100.84 cm³; (6)Molar Volume: 276.8 cm³; (7)Surface Tension: 58.4 dyne/cm; (8)Density: 1.28 g/cm³; (9)Flash Point: 278 °C; (10)Enthalpy of Vaporization: 78.22 kJ/mol; (11)Boiling Point: 536.1 °C at 760 mmHg; (12)Vapour Pressure: 5.01E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)c4ccc(cc4)[N+](=O)[O-]
(2)InChI: InChI=1/C21H14N4O2/c26-25(27)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-22-18)24-21(14-16)19-6-2-4-12-23-19/h1-14H
(3)InChIKey: SLAKPUZCHMXDSL-UHFFFAOYAQ

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