4-(2-Bromoethyl)-2-oxoindole (120427-96-5)

The 4-(2-Bromoethyl)-2-oxoindole, with the CAS registry number 120427-96-5, is also known as 4-(2-Bromoethyl)-1,3-dihydro-2H-indol-2-one. It belongs to the product category of Pharmaceutical Material and Intermeidates. This chemical's molecular formula is C₁₀H₁₀BrNO and molecular weight is 240.10. What's more, its systematic name is called 2H-Indol-2-one, 4-(2-bromoethyl)-. It is a useful synthetic intermediate.

Physical properties about 4-(2-Bromoethyl)-2-oxoindole are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.35; (4) ACD/LogD (pH 7.4): 1.35; (5) ACD/BCF (pH 5.5): 6.24; (6) ACD/BCF (pH 7.4): 6.24; (7) ACD/KOC (pH 5.5): 128.99; (8) ACD/KOC (pH 7.4): 128.99; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.43 Å²; (13) Index of Refraction: 1.648; (14) Molar Refractivity: 54.99 cm³; (15) Molar Volume: 151 cm³; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.57 g/cm³; (18) Flash Point: 182.4 °C; (19) Enthalpy of Vaporization: 62.58 kJ/mol; (20) Boiling Point: 378 °C at 760 mmHg; (21) Vapour Pressure: 6.49E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:c1cc(c2=CC(=O)N=c2c1)CCBr
(2) InChI: InChI=1/C10H8BrNO/c11-5-4-7-2-1-3-9-8(7)6-10(13)12-9/h1-3,6H,4-5H2
(3) InChIKey: KEFXEJHKEJPEOB-UHFFFAOYAI