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CAS No.: | 361147-22-0 |
---|---|
Name: | 2-FLUORO-3-PHENYLPYRIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H8FN |
Molecular Weight: | 173.19 |
Synonyms: | 2-Fluoro-3-phenylpyridine; |
Density: | 1.138g/cm3 |
Boiling Point: | 281.5 °C at 760 mmHg |
Flash Point: | 124.1 °C |
PSA: | 12.89000 |
LogP: | 2.88770 |
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The Pyridine,2-fluoro-3-phenyl-, with CAS registry number 361147-22-0, has the systematic name of 2-fluoro-3-phenylpyridine. Its molecular weight is 173.19. And the chemical formula of this chemical is C11H8FN.
Physical properties of Pyridine,2-fluoro-3-phenyl-: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 166.52; (6)ACD/BCF (pH 7.4): 166.52; (7)ACD/KOC (pH 5.5): 1354.33; (8)ACD/KOC (pH 7.4): 1354.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 48.92 cm3; (15)Molar Volume: 152.1 cm3; (16)Polarizability: 19.39×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 124.1 °C; (20)Enthalpy of Vaporization: 49.94 kJ/mol; (21)Boiling Point: 281.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00604 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ncccc2c1ccccc1
(2)InChI: InChI=1/C11H8FN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H
(3)InChIKey: YSVOLINPRQFGOB-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H8FN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H
(5)Std. InChIKey: YSVOLINPRQFGOB-UHFFFAOYSA-N