The 3-Chloro-1H-indole with the CAS number 16863-96-0 is also called 1H-Indole, 3-chloro-. Its molecular formula is C8H6ClN. This chemical belongs to the following product categories: (1)indole; (2)Indoles and derivatives. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP:2.74; (2)# of Rule of 5 Violations:0 ; (3)#H bond acceptors:1; (4)#H bond donors:1; (5)#Freely Rotating Bonds:0; (6)Polar Surface Area:4.93 Å2; (7)Index of Refraction:1.688; (8)Molar Refractivity:43.42 cm3; (9)Molar Volume:113.8 cm3; (10)Polarizability:17.21×10-24cm3; (11)Surface Tension:52.6 dyne/cm; (12)Enthalpy of Vaporization:51.13 kJ/mol; (13)Vapour Pressure:0.00309 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c1ccccc1nc2
(2)InChI: InChI=1/C8H6ClN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
(3)InChIKey: GVSMQKKMAYLKMM-UHFFFAOYAX
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