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7-Azaindole-5-boronic acid pinacol ester

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7-Azaindole-5-boronic acid pinacol ester

CAS No. 754214-56-7 Density 1.154 g/cm3
PSA 47.14000 LogP 1.86210
Solubility N/A Melting Point 242-242.5 °C
Formula C13H17BN2O2 Boiling Point N/A
Molecular Weight 244.101 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 45-36-22-37-26 Risk Codes 25-20/21/22-36/37/38
Molecular Structure Molecular Structure of 754214-56-7 (5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE) Hazard Symbols IrritantXi


Article Data 18

7-Azaindole-5-boronic acid pinacol ester Specification

The IUPAC name of 7-Azaindole-5-boronic acid pinacol ester is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 754214-56-7, it is also named as 1H-pyrrolo[2,3-b]pyridine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. And it is used as pharmaceutical intermediate. In addition, this chemical will not break down if used and stored according to regulations. It must be sealed in the container which placed in the cool and dry aera. Furthermore, 7-Azaindole-5-boronic acid pinacol ester has a liittle dangerous to the water, so people should not release the material to the environment if not permitted by the government.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.564; (5)Molar Refractivity: 68.738 cm3; (6)Molar Volume: 211.475 cm3; (7)Polarizability: 27.25×10-24 cm3; (8)Surface Tension: 43.683 dyne/cm; (9)Rotatable Bond Count: 1; (10)Tautomer Count: 2; (11)Exact Mass: 244.138308; (12)MonoIsotopic Mass: 244.138308; (13)Topological Polar Surface Area: 47.1; (14)Heavy Atom Count: 18; (15)Complexity: 319; (16)Covalently-Bonded Unit Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES: B1(OC(C(O1)(C)C)(C)C)c2cc3cc[nH]c3nc2;
2. InChI: InChI=1/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10/h5-8H,1-4H3,(H,15,16).

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