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| CAS No.: | 884495-09-4 |
|---|---|
| Name: | 4-Fluoro-2-nitropyridine |
| Molecular Structure: | |
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| Formula: | C5H3FN2O2 |
| Molecular Weight: | 142.09 |
| Synonyms: | 4-FLUORO-2-NITROPYRIDINE |
| Density: | 1.439 g/cm3 |
| Boiling Point: | 261.4 °C at 760 mmHg |
| Flash Point: | 111.9 °C |
| PSA: | 58.71000 |
| LogP: | 1.65210 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Fluoro-2-nitropyridine, with CAS registry number 884495-09-4, has the systematic name of pyridine, 4-fluoro-2-nitro-. Its molecular weight is 142.09. And the chemical formula of this chemical is C5H3FN2O2.
Physical properties of 4-Fluoro-2-nitropyridine: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 43; (8)ACD/KOC (pH 7.4): 43; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 30.88 cm3; (15)Molar Volume: 98.7 cm3; (16)Polarizability: 12.24×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.439 g/cm3; (19)Flash Point: 111.9 °C; (20)Enthalpy of Vaporization: 47.9 kJ/mol; (21)Boiling Point: 261.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(cc1F)[N+](=O)[O-]
(2)InChI: InChI=1/C5H3FN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
(3)InChIKey: LBLMBLVHTJEEDZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H3FN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
(5)Std. InChIKey: LBLMBLVHTJEEDZ-UHFFFAOYSA-N