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2-Fluoro-4-methylpyridine-5-boronic acid

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Name

2-Fluoro-4-methylpyridine-5-boronic acid

EINECS N/A
CAS No. 1072944-18-3 Density 1.282 g/cm3
PSA 53.35000 LogP -0.79110
Solubility N/A Melting Point N/A
Formula C6H7BFNO2 Boiling Point 331.621 °C at 760 mmHg
Molecular Weight 154.93 Flash Point 154.359 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1072944-18-3 (2-FLUORO-4-METHYLPYRIDINE-5-BORONIC ACID) Hazard Symbols N/A
Synonyms

(6-Fluoro-4-methylpyridin-3-yl)boronic acid;

 

2-Fluoro-4-methylpyridine-5-boronic acid Specification

This chemical is called 2-Fluoro-4-methylpyridine-6-boronic acid, and it's also named as 6-Fluoro-4-methylpyridine-3-boronic acid. With the molecular formula of C6H7BFNO2, its molecular weight is 154.93. The CAS registry number of this chemical is 1072944-18-3. Additionally, its product categories are Boronic Acid; Organoborons; Pyridine.

Other characteristics of the 2-Fluoro-4-methylpyridine-6-boronic acid can be summarised as followings: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å2; (8)Index of Refraction: 1.504; (9)Molar Refractivity: 35.82 cm3; (10)Molar Volume: 120.8 cm3; (11)Polarizability: 14.2×10-24cm3; (12)Surface Tension: 44.8 dyne/cm; (13)Density: 1.28 g/cm3; (14)Flash Point: 154.4 °C; (15)Enthalpy of Vaporization: 60.62 kJ/mol; (16)Boiling Point: 331.6 °C at 760 mmHg; (17)Vapour Pressure: 6.14E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc1cc(F)ncc1B(O)O
2.InChI: InChI=1/C6H7BFNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3,10-11H,1H3
3.InChIKey: BAVHOAIWOSIBRD-UHFFFAOYAF

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