1245644-69-2

Systematic name of this chemical is 4-Bromo-2-(2-fluoroethyl)isoindolin-1-one and its CAS registry number is 1245644-69-2. This chemical is also known as 1H-Isoindol-1-one, 4-bromo-2-(2-fluoroethyl)-2,3-dihydro-. Its molecular formula is C₁₀H₉BrFNO and molecular weight is 258.087.

Physical properties about the 4-Bromo-2-(2-fluoroethyl)isoindolin-1-one are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.348; (4)ACD/LogD (pH 7.4): 2.348; (5)ACD/BCF (pH 5.5): 35.854; (6)ACD/BCF (pH 7.4): 35.854; (7)ACD/KOC (pH 5.5): 451.188; (8)ACD/KOC (pH 7.4): 451.188; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 54.693 cm³; (15)Molar Volume: 165.289 cm³; (16)Surface Tension: 43.42 dyne/cm; (17)Density: 1.561 g/cm³; (18)Flash Point: 188.102 °C; (19)Enthalpy of Vaporization: 63.648 kJ/mol; (20)Boiling Point: 387.415 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(c1)Br)CN(C2=O)CCF
(2) InChI: InChI=1/C10H9BrFNO/c11-9-3-1-2-7-8(9)6-13(5-4-12)10(7)14/h1-3H,4-6H2
(3) InChIKey: VIHWDJADWOAZNZ-UHFFFAOYAF