4-Benzyloxy-2-formylphenylboronic acid

The 4-Benzyloxy-2-formylphenylboronic acid, with the CAS registry number 139962-97-3, is also known as Boronic acid, B-[2-formyl-4-(phenylmethoxy)phenyl]-. It belongs to the product categories of Heterocyclic Compounds; Aryl; Ether; Organoborons. This chemical's molecular formula is C₁₄H₁₃BO₄ and molecular weight is 256.06. What's more, its IUPAC name is called (2-Formyl-4-phenylmethoxyphenyl)boronic acid.

Physical properties about 4-Benzyloxy-2-formylphenylboronic acid are: (1)ACD/LogP: 2.672; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67 ; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 63.11; (6)ACD/BCF (pH 7.4): 56.87; (7)ACD/KOC (pH 5.5): 675.96; (8)ACD/KOC (pH 7.4): 609.16; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.76 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 69.336 cm³; (15)Molar Volume: 202.706 cm³; (16)Polarizability: 27.487×10^-24cm³; (17)Surface Tension: 54.736 dyne/cm; (18)Density: 1.263 g/cm³; (19)Flash Point: 250.264 °C; (20)Enthalpy of Vaporization: 79.694 kJ/mol; (21)Boiling Point: 490.199 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cc(OCc1ccccc1)ccc2B(O)O
(2) InChI: InChI=1S/C14H13BO4/c16-9-12-8-13(6-7-14(12)15(17)18)19-10-11-4-2-1-3-5-11/h1-9,17-18H,10H2
(3) InChIKey: XRARNEIDTRHXKN-UHFFFAOYSA-N