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Home > Boronic Acids > 886547-94-0
886547-94-0 | 1-(Phenylsulfonyl);-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrolo[2,3-b]pyridine
CAS No: 886547-94-0 Catalog No: AG0048YX MDL No:MFCD09999194
Product Description
Catalog Number:
AG0048YX
Chemical Name:
1-(Phenylsulfonyl);-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrolo[2,3-b]pyridine
CAS Number:
886547-94-0
Molecular Formula:
C19H21BN2O4S
Molecular Weight:
384.2570
MDL Number:
MFCD09999194
IUPAC Name:
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
InChI Key:
KZANVIJXSQABKR-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cn(c2c1cccn2)S(=O)(=O)c1ccccc1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.257g/mol
Monoisotopic Mass:
384.132g/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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