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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 | Hazard Symbols | N/A | |
Synonyms |
3(2H)-Isoquinolinone, 6-fluoro-; |
Article Data | 2 |
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