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CAS No.: | 769-54-0 |
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Name: | 3-FLUORO-4-NITROPYRIDINE-N-OXIDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H3FN2O3 |
Molecular Weight: | 158.089 |
Synonyms: | 3-Fluoro-4-nitropyridine N-oxide; |
EINECS: | 813-990-1 |
Density: | 1.56 g/cm3 |
Melting Point: | 122 °C |
Boiling Point: | 417.9 °C at 760 mmHg |
Flash Point: | 206.5 °C |
PSA: | 71.28000 |
LogP: | 1.68560 |
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The 3-Fluoro-4-nitropyridine N-oxide is an organic compound with the formula C5H3FN2O3. The IUPAC name of this chemical is 3-fluoro-1-hydroxy-4-nitropyridin-1-ium. With the CAS registry number 769-54-0, it is also named as pyridine, 3-fluoro-4-nitro-, 1-oxide. The product's categories are Pyridine; Pyridines.
Physical properties about 3-Fluoro-4-nitropyridine N-oxide are: (1)ACD/LogP: -0.81; (2)ACD/LogD (pH 5.5): -0.81; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.64; (7)ACD/KOC (pH 7.4): 8.64; (8)#H bond acceptors: 5 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 69.93 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 33.37 cm3; (13)Molar Volume: 100.7 cm3; (14)Polarizability: 13.23×10-24cm3; (15)Surface Tension: 57.9 dyne/cm; (16)Density: 1.56 g/cm3; (17)Flash Point: 206.5 °C; (18)Enthalpy of Vaporization: 64.53 kJ/mol; (19)Boiling Point: 417.9 °C at 760 mmHg; (20)Vapour Pressure: 8.3E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc[n+]([O-])cc1F
(2)InChI: InChI=1/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
(3)InChIKey: QHWIGULJOZAPAQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
(5)Std. InChIKey: QHWIGULJOZAPAQ-UHFFFAOYSA-N