7-Bromo-5-fluoro-3-methyl-1H-indole (883001-24-9)

The 7-Bromo-5-fluoro-3-methyl-1H-indole, with CAS registry number 883001-24-9, has the systematic name of 7-bromo-5-fluoro-3-methyl-1H-indole. Besides this, it is also called 7-Bromo-5-fluoro-3-methylindole. And the chemical formula of this chemical is C₉H₇BrFN.

Physical properties of 7-Bromo-5-fluoro-3-methyl-1H-indole: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.157; (4)ACD/LogD (pH 7.4): 3.157; (5)ACD/BCF (pH 5.5): 147.597; (6)ACD/BCF (pH 7.4): 147.597; (7)ACD/KOC (pH 5.5): 1242.324; (8)ACD/KOC (pH 7.4): 1242.324; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 51.037 cm³; (15)Molar Volume: 138.541 cm³; (16)Polarizability: 20.233×10^-24cm³; (17)Surface Tension: 48.696 dyne/cm; (18)Enthalpy of Vaporization: 54.326 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c[nH]c2c1cc(cc2Br)F
(2)InChI: InChI=1/C9H7BrFN/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4,12H,1H3
(3)InChIKey: RIPHXXHZNPGTMV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7BrFN/c1-5-4-12-9-7(5)2-6(11)3-8(9)10/h2-4,12H,1H3
(5)Std. InChIKey: RIPHXXHZNPGTMV-UHFFFAOYSA-N