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5-Chlorotryptophol

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Name

5-Chlorotryptophol

EINECS
CAS No. 61220-51-7 Density 1.357 g/cm3
Solubility Melting Point
Formula C10H10ClNO Boiling Point 390.7 °C at 760 mmHg
Molecular Weight 195.65 Flash Point 190.1 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 61220-51-7 (1H-Indole-3-ethanol,5-chloro-) Hazard Symbols IrritantXi
Synonyms

Tryptophol,5-chloro- (6CI);5-Chlorotryptophol;2-(5-chloro-1H-indol-3-yl)ethanol;

 

5-Chlorotryptophol Specification

The 1H-Indole-3-ethanol,5-chloro-, with the CAS registry number 61220-51-7, is also known as 5-Chloro-3-(2-hydroxyethyl)-1H-indole. This chemical's molecular formula is C10H10ClNO and molecular weight is 195.65. What's more, its systematic name is 2-(5-chloro-1H-indol-3-yl)ethanol. 

Physical properties of 1H-Indole-3-ethanol,5-chloro- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.97; (6)ACD/BCF (pH 7.4): 21.97; (7)ACD/KOC (pH 5.5): 317.78; (8)ACD/KOC (pH 7.4): 317.78; (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: 1.68; (14)Molar Refractivity: 54.5 cm3; (15)Molar Volume: 144.1 cm3; (16)Polarizability: 21.6×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 190.1 °C; (20)Enthalpy of Vaporization: 67.53 kJ/mol; (21)Boiling Point: 390.7 °C at 760 mmHg; (22)Vapour Pressure: 8.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1cc2c(cc1)ncc2CCO
(2)InChI: InChI=1/C10H10ClNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,5-6,12-13H,3-4H2
(3)InChIKey: IEYZBUJHHBTQCR-UHFFFAOYAL

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