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Basic Information
CAS No.: 137234-90-3
Name: 2-Chloro-5-fluoro-6-ethylpyriMidine
Molecular Structure:
Molecular Structure of 137234-90-3 (2-Chloro-5-fluoro-6-ethylpyriMidine)
Formula: C6H6ClFN2
Molecular Weight: 160.578
Synonyms: 2-Chloro-4-ethyl-5-fluoropyrimidine;
Density: 1.286 g/cm3
Boiling Point: 249.2 °C at 760 mmHg
Flash Point: 104.5 °C
PSA: 25.78000
LogP: 1.83150
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Specification

The Pyrimidine, 2-chloro-4-ethyl-5-fluoro-, with the CAS registry number 137234-90-3, is also known as 2-Chloro-5-fluoro-6-ethylpyrimidine. This chemical's molecular formula is C6H6ClFN2 and molecular weight is 160.58. What's more, its systematic name is 2-Chloro-4-ethyl-5-fluoropyrimidine.

Physical properties about Pyrimidine, 2-chloro-4-ethyl-5-fluoro- are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.86; (6)ACD/BCF (pH 7.4): 6.86; (7)ACD/KOC (pH 5.5): 138.14; (8)ACD/KOC (pH 7.4): 138.14; (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: 1.502; (14)Molar Refractivity: 36.87 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 14.61×10-24 cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 104.5 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 249.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0367 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1nc(Cl)ncc1F
(2) InChI: InChI=1/C6H6ClFN2/c1-2-5-4(8)3-9-6(7)10-5/h3H,2H2,1H3
(3) InChIKey: ZMICJGGJZGEWMC-UHFFFAOYAN