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| CAS No.: | 920036-27-7 |
|---|---|
| Name: | 1-(2,6-DIFLUORO-3-PYRIDINYL)-ETHANONE |
| Molecular Structure: | |
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| Formula: | C7H5F2NO |
| Molecular Weight: | 157.12 |
| Synonyms: | 1-(2,6-Difluoropyridin-3-yl)ethanone;Ethanone, 1-(2,6-difluoro-3-pyridinyl)-;1-(2,6-Difluoro-3-pyridinyl)ethanone; |
| Density: | 1.281 |
| Boiling Point: | 250.865 °C at 760 mmHg |
| Flash Point: | 105.519 °C |
| PSA: | 29.96000 |
| LogP: | 1.56240 |
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- Total:22 Page 1 of 1 1
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Specification
This chemical is called 1-(2,6-Difluoro-3-pyridinyl)ethanone, and it can also be named as ethanone, 1-(2,6-difluoro-3-pyridinyl)-. With the molecular formula of C7H5F2NO, its molecular weight is 157.12. In addition, the CAS registry number of 1-(2,6-Difluoro-3-pyridinyl)ethanone is 920036-27-7.
Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.915; (4)ACD/LogD (pH 7.4): 0.915; (5)ACD/BCF (pH 5.5): 2.921; (6)ACD/BCF (pH 7.4): 2.921; (7)ACD/KOC (pH 5.5): 74.961; (8)ACD/KOC (pH 7.4): 74.961; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 34.36 cm3; (15)Molar Volume: 122.607 cm3; (16)Polarizability: 13.621×10-24cm3; (17)Surface Tension: 36.254 dyne/cm; (18)Density: 1.281 g/cm3; (19)Flash Point: 105.519 °C; (20)Enthalpy of Vaporization: 48.815 kJ/mol; (21)Boiling Point: 250.865 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccc(nc1F)F
(2)InChI: InChI=1/C7H5F2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
(3)InChIKey: KVBDQWJQRISCAV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5F2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
(5)Std. InChIKey: KVBDQWJQRISCAV-UHFFFAOYSA-N