The 4-Chlorotryptophol with the cas number 41340-30-1 is also called 1H-Indole-3-ethanol,4-chloro-. The systematic name is 2-(4-chloro-1H-indol-3-yl)ethanol. Its molecular formula is C10H10ClNO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 250; (8)ACD/KOC (pH 7.4): 250; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.02 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 54.508 cm3; (15)Molar Volume: 144.146 cm3; (16)Polarizability: 21.609×10-24cm3; (17)Surface Tension: 59.242 dyne/cm; (18)Enthalpy of Vaporization: 67.527 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1ncc(CCO)c12
(2)InChI: InChI=1/C10H10ClNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,6,12-13H,4-5H2
(3)InChIKey: DCAPAWBGZKNLGC-UHFFFAOYAR
|