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Home > Boronic Acids > 943324-08-1
943324-08-1 | 2-Methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 943324-08-1 Catalog No: AG00H8G3 MDL No:MFCD11616442
Product Description
Catalog Number:
AG00H8G3
Chemical Name:
2-Methyl-1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
943324-08-1
Molecular Formula:
C20H23BN2O4S
Molecular Weight:
398.2836
MDL Number:
MFCD11616442
IUPAC Name:
1-(benzenesulfonyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C20H23BN2O4S/c1-14-17(21-26-19(2,3)20(4,5)27-21)16-12-9-13-22-18(16)23(14)28(24,25)15-10-7-6-8-11-15/h6-13H,1-5H3
InChI Key:
XRBIXDGVQKMCJG-UHFFFAOYSA-N
SMILES:
Cc1c(B2OC(C(O2)(C)C)(C)C)c2c(n1S(=O)(=O)c1ccccc1)nccc2
Properties
Complexity:
671
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
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