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6-Fluoropyridine-2-boronic acid

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Name

6-Fluoropyridine-2-boronic acid

EINECS 201-525-2
CAS No. 916176-61-9 Density 1.34 g/cm3
PSA 53.35000 LogP -1.09950
Solubility N/A Melting Point N/A
Formula C5H5BFNO2 Boiling Point 326.8 °C at 760 mmHg
Molecular Weight 140.91 Flash Point 151.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 916176-61-9 (6-Fluoropyridine-2-boronic acid) Hazard Symbols N/A
Synonyms

(6-Fluoropyridin-2-yl)boronicacid;

 

6-Fluoropyridine-2-boronic acid Specification

This chemical is called (6-Fluoro-2-pyridinyl)boronic acid, and its CAS registry number is 916176-61-9. With the molecular formula of C5H5BFNO2, its molecular weight is 140.91. Additionally, its product categories are Pyridines; Boric Acid Series.

Other characteristics of the (6-Fluoro-2-pyridinyl)boronic acid can be summarised as followings: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.33; (7)ACD/KOC (pH 7.4): 5.76; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 31.19 cm3; (14)Molar Volume: 104.8 cm3; (15)Polarizability: 12.36×10-24cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 151.5 °C; (19)Enthalpy of Vaporization: 60.07 kJ/mol; (20)Boiling Point: 326.8 °C at 760 mmHg; (21)Vapour Pressure: 8.55E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OB(O)c1cccc(F)n1
2.InChI: InChI=1/C5H5BFNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3,9-10H
3.InChIKey: KUKRPJYXNBIBIT-UHFFFAOYAN

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