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3833-57-6

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Basic Information
CAS No.: 3833-57-6
Name: 2,4-DICHLORO-6-FLUOROPYRIMIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 3833-57-6 (2,4-DICHLORO-6-FLUOROPYRIMIDINE)
Formula: C4HCl2FN2
Molecular Weight: 166.97
Synonyms: 2,4-dichloro-6-fluoro-pyrimidine;4-Fluor-2,6-dichlorpyrimidin;2,4-Dichlor-6-fluorpyrimidin;Pyrimidine,2,4-dichloro-6-fluoro;2,4-bis(chloranyl)-6-fluoranyl-pyrimidine;
Density: 1.605 g/cm3
Boiling Point: 212.2 °C at 760 mmHg
Flash Point: 82.1 °C
PSA: 25.78000
LogP: 1.92250
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Specification

The 2,4-Dichloro-6-fluoropyrimidine, with the CAS registry number 3833-57-6, has the molecular formula C4HCl2FN2. In addition, its molecular weight is 166.97. Its systematic name is called 2,4-dichloro-6-fluoropyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 62.15; (8)ACD/KOC (pH 7.4): 62.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 32.21 cm3; (15)Molar Volume: 103.9 cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.605 g/cm3; (18)Flash Point: 82.1 °C; (19)Enthalpy of Vaporization: 43.02 kJ/mol; (20)Boiling Point: 212.2 °C at 760 mmHg; (21)Vapour Pressure: 0.255 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)nc(F)c1
(2)InChI: InChI=1/C4HCl2FN2/c5-2-1-3(7)9-4(6)8-2/h1H
(3)InChIKey: GACAHZITGJKJAK-UHFFFAOYAO