Products Categories
CAS No.: | 886547-94-0 |
---|---|
Name: | 1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C19H21BN2O4S |
Molecular Weight: | 384.264 |
Synonyms: | 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
Density: | 1.25 g/cm3 |
Melting Point: | 355-360°C |
Boiling Point: | 565.1 °C at 760 mmHg |
Flash Point: | 295.6 °C |
PSA: | 78.80000 |
LogP: | 3.65330 |
What can I do for you?
Get Best Price
This chemical is called 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin, and it can also be named as 1-(Benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester. With the molecular formula of C19H21BN2O4S, its CAS registry number of is 886547-94-0.
Other characteristics of the 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin can be summarised as followings: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 78.8 Å2; (5)Index of Refraction: 1.601; (6)Molar Refractivity: 104.61 cm3; (7)Molar Volume: 305.2 cm3; (8)Polarizability: 41.47×10-24cm3; (9)Surface Tension: 45.7 dyne/cm; (10)Density: 1.25 g/cm3; (11)Flash Point: 295.6 °C; (12)Enthalpy of Vaporization: 84.89 kJ/mol; (13)Boiling Point: 565.1 °C at 760 mmHg; (14)Vapour Pressure: 8.58E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B1(OC(C(O1)(C)C)(C)C)c2cn(c3c2cccn3)S(=O)(=O)c4ccccc4
2.InChI: InChI=1/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
3.InChIKey: KZANVIJXSQABKR-UHFFFAOYAQ