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CAS No.: | 375368-80-2 |
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Name: | 3-Fluoro-2-methoxy-6-picoline |
Molecular Structure: | |
Formula: | C7H8FNO |
Molecular Weight: | 141.14 |
Synonyms: | Pyridine,3-fluoro-2-methoxy-6-methyl-;2-Methoxy-3-fluoro-6-picoline;2-Methoxy-3-fluoro-6-methylpyridine; |
Density: | 1.11 g/cm3 |
Boiling Point: | 158.919 °C at 760 mmHg |
Flash Point: | 49.913 °C |
PSA: | 22.12000 |
LogP: | 1.53770 |
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The 3-Fluoro-2-methoxy-6-picoline, with the CAS registry number 375368-80-2, is also known as 2-Methoxy-3-fluoro-6-picoline. It belongs to the product categories of Pyridine; Halide; Pyridines. This chemical's molecular formula is C7H8FNO and molecular weight is 141.14. What's more, its systematic name is Pyridine, 3-fluoro-2-methoxy-6-methyl-.
Physical properties of 3-Fluoro-2-methoxy-6-picoline are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 22.12 Å2; (9)Index of Refraction: 1.475; (10)Molar Refractivity: 35.84 cm3; (11)Molar Volume: 127.1 cm3; (12)Polarizability: 14.2×10-24 cm3; (13)Surface Tension: 32.1 dyne/cm; (14)Density: 1.11 g/cm3; (15)Flash Point: 49.9 °C; (16)Enthalpy of Vaporization: 37.93 kJ/mol; (17)Boiling Point: 158.9 °C at 760 mmHg; (18)Vapour Pressure: 3.33 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=C(C=C1)F)OC
(2)InChI: InChI=1S/C7H8FNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3
(3)InChIKey: DAQMWRIPXIPMAA-UHFFFAOYSA-N