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137234-85-6

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Basic Information
CAS No.: 137234-85-6
Name: 2,4-DICHLORO-6-ETHYL-5-FLUOROPYRIMIDINE
Molecular Structure:
Molecular Structure of 137234-85-6 (2,4-DICHLORO-6-ETHYL-5-FLUOROPYRIMIDINE)
Formula: C6H5Cl2FN2
Molecular Weight: 195.024
Synonyms: 2,4-Dichloro-6-ethyl-5-fluoropyrimidine;
Density: 1.425 g/cm3
Boiling Point: 248.29 °C at 760 mmHg
Flash Point: 103.962 °C
PSA: 25.78000
LogP: 2.48490
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Specification

The Pyrimidine, 2, 4-dichloro-6-ethyl-5-fluoro-, with the CAS registry number 137234-85-6, is also known as 2, 6-Dichloro-4-ethyl-5-fluoropyrimidine. This chemical's molecular formula is C6H5Cl2FN2 and molecular weight is 195.02. What's more, its systematic name is 2, 4-Dichloro-6-ethyl-5-fluoropyrimidine.

Physical properties about Pyrimidine, 2, 4-dichloro-6-ethyl-5-fluoro- are: (1)ACD/LogP: 1.85; (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): 33; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 429; (8)ACD/KOC (pH 7.4): 429; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 41.769 cm3; (15)Molar Volume: 136.809 cm3; (16)Polarizability: 16.558×10-24 cm3; (17)Surface Tension: 43.341 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 103.962 °C; (20)Enthalpy of Vaporization: 46.583 kJ/mol; (21)Boiling Point: 248.29 °C at 760 mmHg; (22)Vapour Pressure: 0.039 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1nc(Cl)nc(Cl)c1F
(2) InChI: InChI=1/C6H5Cl2FN2/c1-2-3-4(9)5(7)11-6(8)10-3/h2H2,1H3
(3) InChIKey: VOLSXIRVBOETBC-UHFFFAOYAZ