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Home > Boronic Acids > 1350626-27-5
1350626-27-5 | 1-Benzyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 1350626-27-5 Catalog No: AG00HTVA MDL No:MFCD16294550
Product Description
Catalog Number:
AG00HTVA
Chemical Name:
1-Benzyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
1350626-27-5
Molecular Formula:
C20H23BN2O2
Molecular Weight:
334.2198
MDL Number:
MFCD16294550
IUPAC Name:
1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C20H23BN2O2/c1-19(2)20(3,4)25-21(24-19)17-14-23(13-15-9-6-5-7-10-15)18-16(17)11-8-12-22-18/h5-12,14H,13H2,1-4H3
InChI Key:
TXYJAQWDYBJALP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cn(c2c1cccn2)Cc1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.226g/mol
Monoisotopic Mass:
334.185g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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