Name: 6-IODO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE
SKU: 115666-46-1

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Basic Information

Molecular Structure:
CAS No.:	115666-46-1
Name:	6-IODO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE
Article Data:	15

Formula:	C₈H₈IN
Molecular Weight:	245.063
Synonyms:	2,3-Dihydro-6-iodoindole;6-Iodoindoline;2,3-Dihydro-6-iodo-1H-indole;
EINECS:	604-604-1
Density:	1.794 g/cm³
Melting Point:	83-90 °C
Boiling Point:	289.617 °C at 760 mmHg
Flash Point:	128.956 °C
PSA:	12.03000
LogP:	2.39720

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Specification

The 1H-Indole, 2, 3-dihydro-6-iodo-, with the CAS registry number of 115666-46-1, is also known as 6-Iodoindoline. This chemical's molecular formula is C₈H₈IN and molecular weight is 245.06. What's more, its systematic name is called 6-Iodo-2, 3-dihydro-1H-indole.

Physical properties about 1H-Indole, 2, 3-dihydro-6-iodo- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 123; (6)ACD/BCF (pH 7.4): 132; (7)ACD/KOC (pH 5.5): 1068; (8)ACD/KOC (pH 7.4): 1145; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 50.07 cm³; (15)Molar Volume: 136.63 cm³; (16)Surface Tension: 49.211 dyne/cm; (17)Density: 1.794 g/cm³; (18)Flash Point: 128.956 °C; (19)Enthalpy of Vaporization: 52.893 kJ/mol; (20)Boiling Point: 289.617 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccc2c(c1)NCC2
(2) InChI: InChI=1/C8H8IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
(3) InChIKey: KGCBZEKELZUOFI-UHFFFAOYAO