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CAS No.: | 3935-55-5 |
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Name: | 2-Fluoro-3-pyridinecarboxylic acid |
Molecular Structure: | |
Formula: | C6H4FNO2 |
Synonyms: | 2-Fluoropyridine-3-carboxylic acid; |
Density: | 1.419 g/cm3 |
Boiling Point: | 298.7 °C at 760 mmHg |
Flash Point: | 134.4 °C |
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The 2-Fluoro-3-pyridinecarboxylic acid, with the CAS registry number 3935-55-5, is also known as 2-Fluoronicotinic acid. This chemical's molecular formula is C6H4FNO2 and molecular weight is 141.0999. What's more, its systematic name is 2-Fluoropyridine-3-carboxylic acid.
Physical properties about 2-Fluoro-3-pyridinecarboxylic acid are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 31.26 cm3; (15)Molar Volume: 99.3 cm3; (16)Polarizability: 12.39×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.419 g/cm3; (19)Flash Point: 134.4 °C; (20)Enthalpy of Vaporization: 56.88 kJ/mol; (21)Boiling Point: 298.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000559 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cccnc1F
(2) InChI: InChI=1/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
(3) InChIKey: LLLVHTWJGWNRBD-UHFFFAOYAM