Basic Information | Post buying leads | Suppliers |
Name |
Isoquinoline-7-boronic acid |
EINECS | N/A |
CAS No. | 1092790-21-0 | Density | 1.28 g/cm3 |
PSA | 53.35000 | LogP | -0.08540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8BNO2 | Boiling Point | 419.1 °C at 760 mmHg |
Molecular Weight | 172.979 | Flash Point | 207.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isoquinoline-7-boronic acid; |
This chemical is called 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl), and its systematic name is isoquinolin-7-ylboronic acid. With the molecular formula of C9H8BNO2, its molecular weight is 172.98. The CAS registry number of the chemical is 1092790-21-0.
Other characteristics of 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) can be summarised as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 5.32; (6)ACD/BCF (pH 7.4): 3.29; (7)ACD/KOC (pH 5.5): 111.16; (8)ACD/KOC (pH 7.4): 68.81; (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: 1.644; (14)Molar Refractivity: 48.64 cm3; (15)Molar Volume: 134.2 cm3; (16)Polarizability: 19.28×10-24cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 207.3 °C; (20)Enthalpy of Vaporization: 70.93 kJ/mol; (21)Boiling Point: 419.1 °C at 760 mmHg; (22)Vapour Pressure: 8.96E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1cc2cnccc2cc1
2.InChI: InChI=1/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H
3.InChIKey: SVSZHSMOMDNMLS-UHFFFAOYAT
4.Std. InChI: InChI=1S/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H
5.Std. InChIKey: SVSZHSMOMDNMLS-UHFFFAOYSA-N