| Specification: |
This chemical is called 2,5-Dichloro-3-fluoropyridine, and it can also be named as Pyridine, 2,5-dichloro-3-fluoro-. With the CAS regitry number of 103999-77-5, and its molecular formula is C5H2Cl2FN. In addition, the molecular weight of this chemical is 166.
Other characteristics of the 2,5-Dichloro-3-fluoropyridine can be summarised as followings: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 250; (8)ACD/KOC (pH 7.4): 250; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 34.128 cm3; (15)Molar Volume: 110.768 cm3; (16)Polarizability: 13.529×10-24 cm3; (17)Surface Tension: 40.995 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 57.991 °C; (20)Enthalpy of Vaporization: 39.187 kJ/mol; (21)Boiling Point: 172.276 °C at 760 mmHg; (22)Vapour Pressure: 1.789 mmHg at 25°C; (23)Melting Point: 54-56°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(Cl)c(F)c1
(2)InChI: InChI=1/C5H2Cl2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
(3)InChIKey: UMURTAGJSLLLMZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H2Cl2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
(5)Std. InChIKey: UMURTAGJSLLLMZ-UHFFFAOYSA-N
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