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56076-20-1

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Basic Information
CAS No.: 56076-20-1
Name: 4-CHLORO-2-ETHOXY-5-FLUOROPYRIMIDINE
Molecular Structure:
Molecular Structure of 56076-20-1 (4-CHLORO-2-ETHOXY-5-FLUOROPYRIMIDINE)
Formula: C6H6ClFN2O
Molecular Weight: 176.578
Synonyms: 2-Ethoxy-4-chloro-5-fluoropyrimidine;4-Chloro-2-ethoxy-5-fluoropyrimidine;
EINECS: 604-604-1
Density: 1.332 g/cm3
Boiling Point: 253.5 °C at 760 mmHg
Flash Point: 107.1 °C
PSA: 35.01000
LogP: 1.66780
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Specification

The Pyrimidine, 4-chloro-2-ethoxy-5-fluoro- has CAS registry number 56076-20-1. This chemical's molecular formula is C6H6ClFN2O and molecular weight is 176.58. What's more, its systematic name is 4-Chloro-2-ethoxy-5-fluoropyrimidine.

Physical properties about Pyrimidine, 4-chloro-2-ethoxy-5-fluoro- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.23; (6)ACD/BCF (pH 7.4): 8.23; (7)ACD/KOC (pH 5.5): 157.29; (8)ACD/KOC (pH 7.4): 157.29; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 38.63 cm3; (15)Molar Volume: 132.5 cm3; (16)Polarizability: 15.31×10-24 cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 107.1 °C; (20)Enthalpy of Vaporization: 47.11 kJ/mol; (21)Boiling Point: 253.5 °C at 760 mmHg; (22)Vapour Pressure: 0.029 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cnc(OCC)nc1Cl
(2) InChI: InChI=1/C6H6ClFN2O/c1-2-11-6-9-3-4(8)5(7)10-6/h3H,2H2,1H3
(3) InChIKey: BUVSCQCSEWBHDI-UHFFFAOYAO