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CAS No.: | 85092-85-9 |
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Name: | 5-CHLORO-3-IODOINDOLE |
Article Data: | 14 |
Molecular Structure: | |
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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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