1H-Indole-2,3-dione,7-bromo-5-methyl- (108938-16-5)

The 7-Bromo-5-methylindoline-2,3-dione, with cas registry number 108938-16-5, belongs to the following product categories: Indoline & Oxindole. Its systematic name and its IUPAC name are the same one, which is 7-bromo-5-methyl-1H-indole-2,3-dione. What's more, it is also called 1H-indole-2,3-dione, 7-bromo-5-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.6; (6)ACD/BCF (pH 7.4): 11.06; (7)ACD/KOC (pH 5.5): 201.18; (8)ACD/KOC (pH 7.4): 191.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 49.93 cm³; (15)Molar Volume: 140 cm³; (16)Polarizability: 19.79×10^-24cm³; (17)Surface Tension: 54.4 dyne/cm.

You can still convert the following datas into molecular structure: 
(1)SMILES: Brc1cc(cc2c1NC(=O)C2=O)C
(2)InChI: InChI=1/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
(3)InChIKey: NPDJRIGMWAQKTQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
(5)Std. InChIKey: NPDJRIGMWAQKTQ-UHFFFAOYSA-N