Ethanone,1-(2-chloro-4-pyridinyl)- (23794-15-2)

The 1-(2-Chloropyridin-4-yl)ethanone with the cas number 23794-15-2 is also called Ethanone,1-(2-chloro-4-pyridinyl)-. Its molecular formula is C₇H₆ClNO. This chemical belongs to the following product categories: (1)Pyridine series; (2)Pyridines.

The properties of the chemical are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 121; (8)ACD/KOC (pH 7.4): 121; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 39.267 cm³; (15)Molar Volume: 126.138 cm³; (16)Polarizability: 15.567×10^-24cm³; (17)Surface Tension: 42.716 dyne/cm; (18)Enthalpy of Vaporization: 50.833 kJ/mol; (19)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccnc(c1)Cl
(2)InChI: InChI=1/C7H6ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
(3)InChIKey: ZJCGPQZERFBGSM-UHFFFAOYAU