The N-(6-Chloro-3-pyridazinyl)propanamide, with the CAS registry number of 868948-11-2, is also known as Propanamide, N-(6-chloro-3-pyridazinyl)-. This chemical's molecular formula is C7H8ClN3O and molecular weight is 185.61092. What's more, its IUPAC name is N-(6-Chloropyridazin-3-yl)propanamide.
Physical properties about the N-(6-Chloro-3-pyridazinyl)propanamide are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 54.88 Å2; (6)Index of Refraction: 1.587; (7)Molar Refractivity: 46.23 cm3; (8)Molar Volume: 137.4 cm3; (9)Surface Tension: 55.4 dyne/cm; (10)Density: 1.35 g/cm3; (11)Flash Point: 228.4 °C; (12)Enthalpy of Vaporization: 71.35 kJ/mol; (13)Boiling Point: 454 °C at 760 mmHg; (14)Vapour Pressure: 1.97E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(Nc1ccc(Cl)nn1)CC
(2) InChI:InChI=1/C7H8ClN3O/c1-2-7(12)9-6-4-3-5(8)10-11-6/h3-4H,2H2,1H3,(H,9,11,12)
(3) InChIKey:AWBPFGGHADAXHC-UHFFFAOYAS
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