4-Isoquinolineboronic acid

The 4-Isoquinolineboronic acid, with the CAS registry number 192182-56-2, is also known as Isoquinoline-4-boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Quinolines; Boronic Acids & Esters; Quinolines, Isoquinolines & Quinoxalines; Quinoline & Isoquinoline; Boronic Acid; Isoquinoline; Organoborons; Boronic Acids & Esters; Quinolines, Isoquinolines & Quinoxalines. This chemical's molecular formula is C₉H₈BNO₂ and molecular weight is 172.98. What's more, its IUPAC name is called Isoquinolin-4-ylboronic acid.

Physical properties about 4-Isoquinolineboronic acid are: (1)ACD/LogP: 1.328; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 105.98; (8)ACD/KOC (pH 7.4): 10.22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 48.644 cm³; (15)Molar Volume: 134.218 cm³; (16)Polarizability: 19.284×10^-24 cm³; (17)Surface Tension: 59.11 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 207.274 °C; (20)Enthalpy of Vaporization: 70.929 kJ/mol; (21)Boiling Point: 419.115 °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 is 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: OB(O)c2c1c(cccc1)cnc2
(2) InChI: InChI=1S/C9H8BNO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6,12-13H
(3) InChIKey: GDTOUTKTCGPAGY-UHFFFAOYSA-N