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1204580-77-7

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Basic Information
CAS No.: 1204580-77-7
Name: 4-fluorobenzofuran-7-yl-7-boronic acid
Molecular Structure:
Molecular Structure of 1204580-77-7 (4-fluorobenzofuran-7-yl-7-boronic acid)
Formula: C8H6BFO3
Molecular Weight: 179.943
Synonyms: Boronic acid, B-(4-fluoro-7-benzofuranyl)-;
Density: 1.4 g/cm3
Boiling Point: 331.9 °C at 760 mmHg
Flash Point: 154.5 °C
PSA: 53.60000
LogP: 0.25170
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Specification

The 4-Fluorobenzofuran-7-boronic acid, with the CAS registry number of 1204580-77-7, is also known as Boronic acid, B-(4-fluoro-7-benzofuranyl)-. Its molecular formula is C8H6BFO3 and molecular weight is 179.940843. What's more, its IUPAC name is (4-Fluoro-1-benzofuran-7-yl)boronic acid.

Physical properties about the 4-Fluorobenzofuran-7-boronic acid are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.01; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 53.6 Å2; (9)Index of Refraction: 1.592; (10)Molar Refractivity: 43.44 cm3; (11)Molar Volume: 128.2 cm3; (12)Surface Tension: 48.8 dyne/cm; (13)Density: 1.4 g/cm3; (14)Flash Point: 154.5 °C; (15)Enthalpy of Vaporization: 60.66 kJ/mol; (16)Boiling Point: 331.9 °C at 760 mmHg; (17)Vapour Pressure: 6.02E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc(F)c2ccoc12
(2) InChI: InChI=1/C8H6BFO3/c10-7-2-1-6(9(11)12)8-5(7)3-4-13-8/h1-4,11-12H
(3) InChIKey: RHCWCBVBRKJAOU-UHFFFAOYAO