1H-Indole-1-carboxylicacid, 2-borono-5-cyano-, 1-(1,1-dimethylethyl) ester (475102-15-9)

The 1-Boc-5-Cyanoindole-2-boronic acid, with the CAS registry number 475102-15-9, is also known as N-tert-Butoxycarbonyl-5-cyano-1H-indole-2-boronic acid. It belongs to the product categories of Boronicacid; Blocks; BoronicAcids; Carboxes; IndolesOxindoles. This chemical's molecular formula is C₁₄H₁₅BN₂O₄ and molecular weight is 286.09. Its systematic name is called [1-(tert-butoxycarbonyl)-5-cyano-1H-indol-2-yl]boronic acid. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.

Physical properties of 1-Boc-5-Cyanoindole-2-boronic acid: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 62.44; (6)ACD/BCF (pH 7.4): 37.66; (7)ACD/KOC (pH 5.5): 669.52; (8)ACD/KOC (pH 7.4): 403.86; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 76.59 cm³; (14)Molar Volume: 234.6 cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.21 g/cm³; (17)Melting Point: 260-270 °C; (18)Flash Point: 261.7 °C; (19)Enthalpy of Vaporization: 82.08 kJ/mol; (20)Boiling Point: 509.1 °C at 760 mmHg; (21)Vapour Pressure: 3.46E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)n2c1ccc(C#N)cc1cc2B(O)O
(2)InChI: InChI=1/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-5-4-9(8-16)6-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
(3)InChIKey: AJWYBPNMPKTRDV-UHFFFAOYAC