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CAS No.: | 342602-55-5 |
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Name: | Ethanone,1-(5-fluoro-3-pyridinyl)- |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H6FNO |
Molecular Weight: | 139.13 |
Synonyms: | 1-(5-Fluoro-3-pyridinyl)ethanone; |
Density: | 1.175 g/cm3 |
Boiling Point: | 213.187 °C at 760 mmHg |
Flash Point: | 82.733 °C |
PSA: | 29.96000 |
LogP: | 1.42330 |
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The Ethanone,1-(5-fluoro-3-pyridinyl)-, with the CAS registry number 342602-55-5, is also known as 3-Formyl-2-methylindazole. It belongs to the product categories of Acetylgroup; Pyridine. This chemical's molecular formula is C7H6FNO and molecular weight is 139.13. What's more, its systematic name is 1-(5-fluoro-3-pyridyl)ethanone.
Physical properties of Ethanone,1-(5-fluoro-3-pyridinyl)- are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.661; (4)ACD/BCF (pH 5.5): 1.871; (5)ACD/KOC (pH 5.5): 54.506; (6)ACD/KOC (pH 7.4): 54.507; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.492; (12)Molar Refractivity: 34.366 cm3; (13)Molar Volume: 118.397 cm3; (14)Surface Tension: 37.881 dyne/cm; (15)Density: 1.175 g/cm3; (16)Flash Point: 82.733 °C; (17)Enthalpy of Vaporization: 44.95 kJ/mol; (18)Boiling Point: 213.187 °C at 760 mmHg; (19)Vapour Pressure: 0.166 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cc(cnc1)F
(2)InChI: InChI=1S/C7H6FNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
(3)InChIKey: ZFUZBTNPVIGXTL-UHFFFAOYSA-N