1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

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Catalog Number
ACM886547940
Product Name
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Structure
Structure
CAS
886547-94-0
Category
Heterocyclic Organic Compound
IUPAC Name
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Molecular Weight
384.3g/mol
Molecular Formula
C19H21BN2O4S
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)S(=O)(=O)C4=CC=CC=C4
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
Complexity
641
Covalently-Bonded Unit Count
1
Exact Mass
384.131508g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
27
Monoisotopic Mass
384.131508g/mol
Rotatable Bond Count
3
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