Name: 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone
SKU: 1111637-74-1

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Basic Information

Molecular Structure:
CAS No.:	1111637-74-1
Name:	1-(5-Bromo-2-fluoropyridin-3-yl)ethanone
Article Data:	7

Formula:	C₇H₅BrFNO
Molecular Weight:	218.02
Synonyms:	1-(5-Bromo-2-fluoropyridin-3-yl)ethanone;1-(5-Bromo-2-fluoro-3-pyridinyl)ethanone;1-(5-Bromo-2-fluoropyridin-3-yl)ethan-1-one;3-Acetyl-5-bromo-2-fluoropyridine;Ethanone, 1-(5-broMo-2-fluoro-3-pyridinyl)-
EINECS:	1533716-785-6
Density:	1.62 g/cm³
Boiling Point:	284.289 °C at 760 mmHg
Flash Point:	125.734 °C
PSA:	29.96000
LogP:	2.18580

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Specification

This chemical is called 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone, and it's also named as ethanone, 1-(5-bromo-2-fluoro-3-pyridinyl)-. With the molecular formula of C₇H₅BrFNO, its molecular weight is 218.02. The CAS registry number of this chemical is 1111637-74-1.

Other characteristics of the 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone can be summarised as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.893; (6)ACD/BCF (pH 7.4): 4.893; (7)ACD/KOC (pH 5.5): 108.444; (8)ACD/KOC (pH 7.4): 108.444; (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: 125.734 °C; (20)Enthalpy of Vaporization: 52.326 kJ/mol; (21)Boiling Point: 284.289 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(=O)c1cc(cnc1F)Br
2.InChI: InChI=1/C7H5BrFNO/c1-4(11)6-2-5(8)3-10-7(6)9/h2-3H,1H3
3.InChIKey: NTEVXGZFBVJCAP-UHFFFAOYAF