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The 4-Bromo-1-methylpyridin-2-one, also known as 2(1H)-Pyridinone, 4-bromo-1-methyl-, is an organic compound with the formula C6H6BrNO. With the CAS registry number 214342-63-9, its systematic name is 4-bromo-1-methylpyridin-2(1H)-one.
Physical properties of 4-Bromo-1-methylpyridin-2-one: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.91; (7)ACD/KOC (pH 7.4): 27.91; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 38.45 cm3; (11)Molar Volume: 112.9 cm3; (12)Surface Tension: 47.4 dyne/cm; (13)Density: 1.664 g/cm3; (14)Flash Point: 109.9 °C; (15)Enthalpy of Vaporization: 49.57 kJ/mol; (16)Boiling Point: 258.1 °C at 760 mmHg; (17)Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC=1\C=C/N(C)C(=O)C=1
(2)InChI: InChI=1/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3
(3)InChIKey: YFOQSLIPUHGGQE-UHFFFAOYAV