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Home > Boronic Acids > 1112948-62-5
1112948-62-5 | 1H-Pyrrolo[2,3-b]pyridine, 3-(1H-indol-6-yl)-1-[(4-Methylphenyl)sulfonyl]-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1112948-62-5 Catalog No: AG0099EM MDL No:
Product Description
Catalog Number:
AG0099EM
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-(1H-indol-6-yl)-1-[(4-Methylphenyl)sulfonyl]-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1112948-62-5
IUPAC Name:
3-(1H-indol-6-yl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C28H28BN3O4S/c1-18-6-10-22(11-7-18)37(33,34)32-17-24(20-9-8-19-12-13-30-25(19)14-20)23-15-21(16-31-26(23)32)29-35-27(2,3)28(4,5)36-29/h6-17,30H,1-5H3
InChI Key:
ARAIBKKIGXPKMH-UHFFFAOYSA-N
Properties
Complexity:
932
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.189g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
513.419g/mol
Monoisotopic Mass:
513.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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