CAS No.1075-11-2,6-FLUOROISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1075-11-2
Name:	6-FLUOROISOQUINOLINE
Article Data:	12

Formula:	C₉H₆FN
Molecular Weight:	147.152
Synonyms:	6-Fluoroisoquinoline;
Density:	1.216 g/cm³
Melting Point:	48-50℃
Boiling Point:	255.265 °C at 760 mmHg
Flash Point:	108.181 °C
PSA:	12.89000
LogP:	2.37390

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Specification

The Isoquinoline, 6-fluoro-, with the CAS registry number 1075-11-2, has the systematic name of 6-fluoroisoquinoline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₉H₆FN.

The physical properties of Isoquinoline, 6-fluoro- are as following: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 186; (8)ACD/KOC (pH 7.4): 293; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 42.18 cm³; (15)Molar Volume: 120.983 cm³; (16)Polarizability: 16.722×10^-24cm³; (17)Surface Tension: 44.447 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 108.181 °C; (20)Enthalpy of Vaporization: 47.282 kJ/mol; (21)Boiling Point: 255.265 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2cnccc2c1
(2)InChI: InChI=1/C9H6FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
(3)InChIKey: ALLJCJZVQMDEHE-UHFFFAOYAR