Boronic acid,B-[1-[tris(1-methylethyl)silyl]-1H-pyrrol-3-yl]- (138900-55-7)

The 1-(Triisopropylsilyl)pyrrole-3-boronic acid, with the CAS registry number 138900-55-7, is also known as (1-tripropan-2-ylsilylpyrrol-3-yl)boronic acid. It belongs to the product categories of Boronic acids; Boronic acid; Organoborons; Pyrrole. This chemical's molecular formula is C₁₃H₂₆BNO₂Si and formula weight is 267.25. What's more, its IUPAC name and systematic name are the same which is called [1-tri(propan-2-yl)silylpyrrol-3-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-(Triisopropylsilyl)pyrrole-3-boronic acid: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.46; (5)ACD/BCF (pH 5.5): 1459.97; (6)ACD/BCF (pH 7.4): 1445.95; (7)ACD/KOC (pH 5.5): 6406.5; (8)ACD/KOC (pH 7.4): 6344.98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 78.43 cm³; (14)Molar Volume: 277.7 cm³; (15)Surface Tension: 26.1 dyne/cm; (16)Density: 0.96 g/cm³; (17)Flash Point: 158.2 °C; (18)Enthalpy of Vaporization: 61.35 kJ/mol; (19)Boiling Point: 337.9 °C at 760 mmHg; (20)Vapour Pressure: 3.97E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CN(C=C1)[Si](C(C)C)(C(C)C)C(C)C)(O)O
(2)InChI: InChI=1S/C13H26BNO2Si/c1-10(2)18(11(3)4,12(5)6)15-8-7-13(9-15)14(16)17/h7-12,16-17H,1-6H3
(3)InChIKey: HUBVAOMVEMGRFA-UHFFFAOYSA-N