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5-Fluoro-6-methoxypyridine-3-boronic acid

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Name

5-Fluoro-6-methoxypyridine-3-boronic acid

EINECS N/A
CAS No. 856250-60-7 Density 1.34 g/cm3
PSA 62.58000 LogP -1.09090
Solubility N/A Melting Point N/A
Formula C6H7BFNO3 Boiling Point 308.3 °C at 760 mmHg
Molecular Weight 170.936 Flash Point 140.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 856250-60-7 (5-Fluoro-6-methoxypyridine-3-boronic acid) Hazard Symbols N/A
Synonyms

Boronicacid, (5-fluoro-6-methoxy-3-pyridinyl)- (9CI);

 

5-Fluoro-6-methoxypyridine-3-boronic acid Specification

The 5-Fluoro-6-methoxypyridine-3-boronic acid, with the CAS registry number 856250-60-7, is also known as 3-Fluoro-2-methoxypyridine-5-boronic acid. It belongs to the product category of API Intermediates. This chemical's molecular formula is C6H7BFNO3 and molecular weight is 170.9341. What's more, its systematic name is called (5-Fluoro-6-methoxy-3-pyridyl)boronic acid.

Physical properties about 5-Fluoro-6-methoxypyridine-3-boronic acid are: (1) ACD/LogP: 0.69; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.32; (4)#H bond acceptors: 4; (5) #H bond donors: 2; (6) #Freely Rotating Bonds: 4; (7) Polar Surface Area: 62.58 Å2; (9) Index of Refraction: 1.502; (10) Molar Refractivity: 37.56 cm3; (11) Molar Volume: 127.2 cm3; (12) Surface Tension: 47 dyne/cm; (13) Density: 1.34 g/cm3; (14) Flash Point: 140.2 °C; (15) Enthalpy of Vaporization: 57.96 kJ/mol; (16) Boiling Point: 308.3 °C at 760 mmHg; (17) Vapour Pressure: 0.000298 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cnc1OC)B(O)O
(2) InChI: InChI=1/C6H7BFNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3,10-11H,1H3
(3) InChIKey: OCWTXKZPAZAQQW-UHFFFAOYAW

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