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CAS No.: | 885952-18-1 |
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Name: | 3-BROMO-6-CHLORO-2-FLUOROPYRIDINE |
Molecular Structure: | |
Formula: | C5H2BrClFN |
Molecular Weight: | 210.43 |
Synonyms: | 3-BROMO-6-CHLORO-2-FLUOROPYRIDINE |
EINECS: | 256-495-9 |
Density: | 1.83g/cm3 |
Boiling Point: | 212.031 °C at 760 mmHg |
Flash Point: | 82.034 °C |
Transport Information: | UN 2811 |
PSA: | 12.89000 |
LogP: | 2.63660 |
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The Pyridine,3-bromo-6-chloro-2-fluoro-, with CAS registry number 885952-18-1, has the systematic name of 3-bromo-6-chloro-2-fluoro-pyridine. Its molecular weight is 210.43. And the chemical formula of this chemical is C5H2BrClFN.
Physical properties of Pyridine,3-bromo-6-chloro-2-fluoro-: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.998; (4)ACD/LogD (pH 7.4): 1.998; (5)ACD/BCF (pH 5.5): 19.423; (6)ACD/BCF (pH 7.4): 19.423; (7)ACD/KOC (pH 5.5): 290.931; (8)ACD/KOC (pH 7.4): 290.931; (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: 1.555; (14)Molar Refractivity: 36.923 cm3; (15)Molar Volume: 115.002 cm3; (16)Polarizability: 14.637×10-24cm3; (17)Surface Tension: 43.245 dyne/cm; (18)Density: 1.83 g/cm3; (19)Flash Point: 82.034 °C; (20)Enthalpy of Vaporization: 43.005 kJ/mol; (21)Boiling Point: 212.031 °C at 760 mmHg; (22)Vapour Pressure: 0.257 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1Br)F)Cl
(2)InChI: InChI=1/C5H2BrClFN/c6-3-1-2-4(7)9-5(3)8/h1-2H
(3)InChIKey: VKBRLJKCZACHPU-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H2BrClFN/c6-3-1-2-4(7)9-5(3)8/h1-2H
(5)Std. InChIKey: VKBRLJKCZACHPU-UHFFFAOYSA-N