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754214-56-7

Basic Information
CAS No.: 754214-56-7
Name: 1H-Pyrrolo[2,3-b]pyridine,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Molecular Structure:
Molecular Structure of 754214-56-7 (1H-Pyrrolo[2,3-b]pyridine,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-)
Formula: C13H17BN2O2
Molecular Weight: 244.1
Synonyms: 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;
EINECS:
Density: 1.154 g/cm3
Melting Point: 242-242.5 °C
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 25-20/21/22-36/37/38
Safety: 45-36-22-37-26
Transport Information:
PSA: 47.14000
LogP: 1.86210
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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).