1H-Indole-1-carboxylicacid, 2-borono-5-fluoro-, 1-(1,1-dimethylethyl) ester (352359-23-0)

The 1-Boc-5-fluoroindole-2-boronic acid with its cas register number is 352359-23-0. It also can be called asN-tert-Butoxycarbonyl-5-fluoro-1H-indole-2-boronic acid and the IUPAC Name about this chemical is [5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid. It belongs to the following product categories, such as blocks, BoronicAcids, FluoroCompounds, IndolesOxindoles and so on.

Physical properties about 1-Boc-5-fluoroindole-2-boronic acid are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 183.79; (5)ACD/BCF (pH 7.4): 131.13; (6)ACD/KOC (pH 5.5): 1451.35; (7)ACD/KOC (pH 7.4): 1035.52; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 49.69Ų; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 69.94 cm³; (14)Molar Volume: 224.6 cm³; (15)Polarizability: 27.72x10^-24cm³; (16)Surface Tension: 39.1 dyne/cm; (17)Enthalpy of Vaporization: 74.26 kJ/mol; (18)Vapour Pressure: 9.36E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)F)(O)O
(2)InChI: InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
(3)InChIKey: TZHYEXHDCFQZGG-UHFFFAOYSA-N