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| CAS No.: | 1046788-84-4 |
|---|---|
| Name: | 4-Chloro-5-fluoro-2-methoxymethyl-pyrimidine |
| Molecular Structure: | |
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| Formula: | C6H6ClFN2O |
| Molecular Weight: | 176.58 |
| Density: | 1.346 g/cm3 |
| Boiling Point: | 209.053 °C at 760 mmHg |
| Flash Point: | 80.233 °C |
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Specification
This chemical is called 4-Chloro-5-fluoro-2-methoxymethyl-pyrimidine, and its CAS registry number is 1046788-84-4. With the molecular formula of C6H6ClFN2O, its molecular weight is 176.58.
Other characteristics of the 4-Chloro-5-fluoro-2-methoxymethyl-pyrimidine can be summarised as followings: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.477; (4)ACD/LogD (pH 7.4): 0.477; (5)ACD/BCF (pH 5.5): 1.358; (6)ACD/BCF (pH 7.4): 1.358; (7)ACD/KOC (pH 5.5): 43.325; (8)ACD/KOC (pH 7.4): 43.325; (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: 1.5; (14)Molar Refractivity: 38.619 cm3; (15)Molar Volume: 131.221 cm3; (16)Polarizability: 15.31×10-24cm3; (17)Surface Tension: 42.39 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 80.233 °C; (20)Enthalpy of Vaporization: 42.715 kJ/mol; (21)Boiling Point: 209.053 °C at 760 mmHg; (22)Vapour Pressure: 0.299 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COCc1ncc(c(n1)Cl)F
2.InChI: InChI=1/C6H6ClFN2O/c1-11-3-5-9-2-4(8)6(7)10-5/h2H,3H2,1H3
3.InChIKey: MGVBPUQGKASYSW-UHFFFAOYAK