Home Boronic acids 1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid pinacol ester

1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid pinacol ester

CAS No.:
866545-91-7
Catalog Number:
AG003ENX
Molecular Formula:
C20H23BN2O4S
Molecular Weight:
398.2836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$138
- +
250mg
95%
In Stock USA
United States
$219
- +
1g
95%
In Stock USA
United States
$357
- +
Product Description
Catalog Number:
AG003ENX
Chemical Name:
1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid pinacol ester
CAS Number:
866545-91-7
Molecular Formula:
C20H23BN2O4S
Molecular Weight:
398.2836
MDL Number:
MFCD11616456
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C20H23BN2O4S/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
InChI Key:
NXAUWIGLTZPZKD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1nccc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
669  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.147g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.284g/mol
Monoisotopic Mass:
398.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties