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85092-85-9

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Basic Information
CAS No.: 85092-85-9
Name: 5-CHLORO-3-IODOINDOLE
Article Data: 14
Molecular Structure:
Molecular Structure of 85092-85-9 (5-CHLORO-3-IODOINDOLE)
Formula: C8H5ClIN
Molecular Weight: 277.492
Synonyms: 3-iodo-5-chloro-1H-indole;5-CHLORO-3-IODOINDOLE;1H-Indole,5-chloro-3-iodo;
Density: 2.041 g/cm3
Boiling Point: 375.6 °C at 760 mmHg
Flash Point: 180.9 °C
PSA: 15.79000
LogP: 3.42590
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Specification

The 1H-Indole,5-chloro-3-iodo- is an organic compound with the formula C8H5ClIN. The systematic name of this chemical is 5-Chloro-3-iodo-1H-indole. With the CAS registry number 85092-85-9, it is also named as 5-Chloro-3-iodoindole. Besides, its molecular weight is 277.49.

Physical properties about 1H-Indole,5-chloro-3-iodo- are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 3.96; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 601.19; (5)ACD/BCF (pH 7.4): 601.19; (6)ACD/KOC (pH 5.5): 3394.83; (7)ACD/KOC (pH 7.4): 3394.83; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 4.93 Å2; (11)Index of Refraction: 1.767; (12)Molar Refractivity: 56.33 cm3; (13)Molar Volume: 135.8 cm3; (14)Polarizability: 22.33×10-24 cm3; (15)Surface Tension: 62.5 dyne/cm; (16)Density: 2.041 g/cm3; (17)Flash Point: 180.9 °C; (18)Enthalpy of Vaporization: 59.87 kJ/mol; (19)Boiling Point: 375.6 °C at 760 mmHg; (20)Vapour Pressure: 1.66E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H5ClIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
(2)InChIKey: IRQKSYALOWHFQS-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C8H5ClIN/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
(4)Std. InChIKey: IRQKSYALOWHFQS-UHFFFAOYSA-N