1H-Indole,4-chloro-6-methoxy- (93490-31-4)

The 4-Chloro-6-methoxyindole, with the CAS registry number 93490-31-4, has the systematic name of 4-chloro-6-methoxy-1H-indole. It belongs to the following product categories: Indoles and derivatives; Indole Derivatives; Mutagenesis Research Chemicals. And the molecular formula of the chemical is C₉H₈ClNO. What's more, it is a kind of toxic brown solid, so you should be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.57; (6)ACD/BCF (pH 7.4): 82.57; (7)ACD/KOC (pH 5.5): 819.75; (8)ACD/KOC (pH 7.4): 819.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 50.1 cm³; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 19.86×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.317 g/cm³; (19)Flash Point: 155.7 °C; (20)Enthalpy of Vaporization: 55.39 kJ/mol; (21)Boiling Point: 333.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000258 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(OC)cc2c1ccn2
(2)InChI: InChI=1/C9H8ClNO/c1-12-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
(3)InChIKey: ROZQWTXWGPFHST-UHFFFAOYAV