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Name	3-Chloro-1H-indole	EINECS	N/A
CAS No.	16863-96-0	Density	1.331 g/cm³
PSA	15.79000	LogP	2.82130
Solubility	N/A	Melting Point	94-95 °C(Solv: hexane (110-54-3))
Formula	C8H6 Cl N	Boiling Point	293 °C at 760 mmHg
Molecular Weight	151.595	Flash Point	158.9 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Indole,3-chloro- (6CI,8CI);3-Chloroindole;3-Chloro-1H-indole;	Article Data	39

3-Chloro-1H-indole Specification

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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