4-BENZYLOXY-3-CHLOROPHENYLBORONIC ACID

The 4-Benzyloxy-3-chlorophenylboronic acid, with the CAS registry number 845551-44-2, is also known as Boronic acid, B-[3-chloro-4-(phenylmethoxy)phenyl]-. It belongs to the product categories of Blocks; BoronicAcids; Boronic acid; Aryl; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C₁₃H₁₂BClO₃ and molecular weight is 262.50. Its IUPAC name and systematic name are the same which is called [4-(benzyloxy)-3-chlorophenyl]boronic acid.

Physical properties of 4-Benzyloxy-3-chlorophenylboronic acid: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 27.69 ?2; (7)Index of Refraction: 1.605; (8)Molar Refractivity: 69.19 cm³; (9)Molar Volume: 200.7 cm³; (10)Surface Tension: 52.9 dyne/cm; (11)Density: 1.3 g/cm³; (12)Flash Point: 226.1 °C; (13)Enthalpy of Vaporization: 74.72 kJ/mol; (14)Boiling Point: 450.2 °C at 760 mmHg; (15)Vapour Pressure: 6.85E-09 mmHg at 25°C; (16)Melting Point: 188-193 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2OCc1ccccc1)B(O)O
(2)InChI: InChI=1/C13H12BClO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
(3)InChIKey: AYSMMNDQVZAXQY-UHFFFAOYAY