6-Chloro-1-methyl-1H-indole (155868-51-2)

The 6-Chloro-1-methyl-1H-indole, with CAS registry number 155868-51-2, belongs to the following product categories: (1)blocks; (2)IndolesOxindoles. It has the systematic name of 6-chloro-1-methyl-1H-indole. And the  chemical formula of this chemical is C₉H₈ClN.

Physical properties about this chemical are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 142; (6)ACD/BCF (pH 7.4): 142; (7)ACD/KOC (pH 5.5): 1209; (8)ACD/KOC (pH 7.4): 1209; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 47.292 cm³; (15)Molar Volume: 139.501 cm³; (16)Polarizability: 18.748×10^-24cm³; (17)Surface Tension: 38.588 dyne/cm; (18)Enthalpy of Vaporization: 49.628 kJ/mol; (19)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2ccn(C)c2c1
(2)InChI: InChI=1/C9H8ClN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
(3)InChIKey: YDLOPHRVGMIZDX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H8ClN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
(5)Std. InChIKey: YDLOPHRVGMIZDX-UHFFFAOYSA-N