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1160936-52-6

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Basic Information
CAS No.: 1160936-52-6
Name: 1-(5-Bromo-3-fluoropyridin-2-yl)ethanone
Article Data: 9
Molecular Structure:
Molecular Structure of 1160936-52-6 (1-(5-Bromo-3-fluoropyridin-2-yl)ethanone)
Formula: C7H5BrFNO
Molecular Weight: 218.025
Synonyms: Ethanone, 1-(5-bromo-3-fluoro-2-pyridinyl)-;
Density: 1.62 g/cm3
Boiling Point: 239.453 °C at 760 mmHg
Flash Point: 98.618 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 29.96000
LogP: 2.18580
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Specification

This product is an organic compound with the formula C7H5BrFNO. The systematic name of this chemical is 1-(5-Bromo-3-fluoropyridin-2-yl)ethanone. With the CAS registry number 1160936-52-6, it is also named as Ethanone, 1-(5-bromo-3-fluoro-2-pyridinyl)-. In addition, the molecular weight is 218.02. 

Physical properties of 1-(5-Bromo-3-fluoropyridin-2-yl)ethanone are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.647; (4)ACD/LogD (pH 7.4): 1.647; (5)ACD/BCF (pH 5.5): 10.504; (6)ACD/BCF (pH 7.4): 10.504; (7)ACD/KOC (pH 5.5): 187.376; (8)ACD/KOC (pH 7.4): 187.376; (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: 1.537; (14)Molar Refractivity: 42.056 cm3; (15)Molar Volume: 134.582 cm3; (16)Polarizability: 16.672×10-24cm3; (17)Surface Tension: 42.797 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 98.618 °C; (20)Enthalpy of Vaporization: 47.634 kJ/mol; (21)Boiling Point: 239.453 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1c(cc(cn1)Br)F
(2)InChI: InChI=1S/C7H5BrFNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3
(3)InChIKey: UJKOXVSYARTOMX-UHFFFAOYSA-N