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Home > Boronic Acids > 1185427-23-9
1185427-23-9 | 3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-c]pyridine
CAS No: 1185427-23-9 Catalog No: AG008VOD MDL No:MFCD18383212
Product Description
Catalog Number:
AG008VOD
Chemical Name:
3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-c]pyridine
CAS Number:
1185427-23-9
Molecular Formula:
C20H23BN2O4S
Molecular Weight:
398.2836
MDL Number:
MFCD18383212
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C20H23BN2O4S/c1-14-6-8-15(9-7-14)28(24,25)23-13-17(16-10-11-22-12-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
InChI Key:
LQJHBDHVKOYWSS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cncc2)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
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