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Home > Boronic Acids > 849068-22-0
849068-22-0 | 1H-Pyrrolo[2,3-b]pyridine, 1-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 849068-22-0 Catalog No: AG00GEEX MDL No:
Product Description
Catalog Number:
AG00GEEX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 1-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
849068-22-0
Molecular Formula:
C14H19BN2O4S
Molecular Weight:
322.1877
IUPAC Name:
1-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H19BN2O4S/c1-13(2)14(3,4)21-15(20-13)11-8-10-6-7-17(22(5,18)19)12(10)16-9-11/h6-9H,1-5H3
InChI Key:
JYRHKKPLWNTIDL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc2c(c1)ccn2S(=O)(=O)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.186g/mol
Monoisotopic Mass:
322.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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