The 5-Bromo-1-methyl-3H-indol-2-one with CAS registry number of 20870-90-0 is also called 2H-indol-2-one, 5-bromo-1,3-dihydro-1-methyl-. The IUPAC name is 5-bromo-1-methyl-1,3-dihydro-2H-indol-2-one. In addition, the formula is C9H8BrNO and the molecular weight is 226.0699. It is harmful.
Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 49.91 cm3; (9)Molar Volume: 142.2 cm3; (10)Polarizability: 19.78 ×10-24cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.589 g/cm3; (13)Flash Point: 206.6 °C; (14)Enthalpy of Vaporization: 67.16 kJ/mol; (15)Boiling Point: 418.1 °C at 760 mmHg; (16)Vapour Pressure: 3.37E-07 mmHg at 25°C;(17)Melting point: 132 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)N(C(=O)C2)C
(2)InChI: InChI=1/C9H8BrNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3
(3)InChIKey: WARSUKBSFLACOI-UHFFFAOYAZ
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