5-Fluorobenzothiophene-2-boronic acid (501944-42-9)

This chemical is called 5-Fluorobenzothiophene-2-boronic acid, and it can also be named as Boronic acid, B-(5-fluorobenzo[b]thien-2-yl)-. With the molecular formula of C₈H₆BFO₂S, its molecular weight is 196.01. The CAS registry number of this chemical is 501944-42-9.

Other characteristics of the 5-Fluorobenzothiophene-2-boronic acid can be summarised as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.127; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 23.967; (6)ACD/BCF (pH 7.4): 3.909; (7)ACD/KOC (pH 5.5): 331.73; (8)ACD/KOC (pH 7.4): 54.104; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.7 Ų; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 49.099 cm³; (15)Molar Volume: 136.109 cm³; (16)Polarizability: 19.465×10^-24cm³; (17)Surface Tension: 53.921 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 191.625 °C; (20)Enthalpy of Vaporization: 67.825 kJ/mol; (21)Boiling Point: 393.24 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: B(c1cc2cc(ccc2s1)F)(O)O
2.InChI: InChI=1/C8H6BFO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
3.InChIKey: DGEAJPZHUYFBGZ-UHFFFAOYAD
4.Std. InChI: InChI=1S/C8H6BFO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
5.Std. InChIKey: DGEAJPZHUYFBGZ-UHFFFAOYSA-N