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6-Fluoroisoquinolin-3-ol

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Name

6-Fluoroisoquinolin-3-ol

EINECS N/A
CAS No. 51463-15-1 Density 1.32 g/cm3
PSA 33.12000 LogP 2.07950
Solubility N/A Melting Point N/A
Formula C9H6FNO Boiling Point 428 °C at 760 mmHg
Molecular Weight 163.151 Flash Point 212.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51463-15-1 (3(2H)-Isoquinolinone, 6-fluoro-) Hazard Symbols N/A
Synonyms

3(2H)-Isoquinolinone, 6-fluoro-;

Article Data 2

6-Fluoroisoquinolin-3-ol Specification

The 6-Fluoroisoquinolin-3-ol is an organic compound with the formula C9H6FNO. The systematic name of this chemical is 6-fluoroisoquinolin-3(2H)-one. With the CAS registry number 51463-15-1, it is also named as 6-Fluoro-3-hydroxyisoquinoline. In addition, the molecular weight is 163.10.

The other characteristics of 6-Fluoroisoquinolin-3-ol can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23.42; (5)ACD/KOC (pH 7.4): 23.4; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.1 Å2; (10)Index of Refraction: 1.607; (11)Molar Refractivity: 42.47 cm3; (12)Molar Volume: 122.9 cm3; (13)Polarizability: 16.83×10-24 cm3; (14)Surface Tension: 42 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 212.6 °C; (17)Enthalpy of Vaporization: 68.3 kJ/mol; (18)Boiling Point: 428 °C at 760 mmHg; (19)Vapour Pressure: 1.57E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:FC=1/C=C\C\2=C\NC(=O)/C=C/2/C=1
2. InChI:InChI=1/C9H6FNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,(H,11,12)
3. InChIKey:BOIWWELBMIJQOV-UHFFFAOYAO
4. Std. InChI:InChI=1S/C9H6FNO/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,(H,11,12)
5. Std. InChIKey:BOIWWELBMIJQOV-UHFFFAOYSA-N

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