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Home > Boronic Acids > 1391926-50-3
1391926-50-3 | 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1391926-50-3 Catalog No: AG001AH2 MDL No:MFCD17214384
Product Description
Catalog Number:
AG001AH2
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1391926-50-3
Molecular Formula:
C18H25BN2O4
Molecular Weight:
344.2131
MDL Number:
MFCD17214384
IUPAC Name:
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-9-12-13(8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChI Key:
GHDNLFGEJLLKEC-UHFFFAOYSA-N
SMILES:
O=C(n1ccc2c1nccc2B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.191g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.218g/mol
Monoisotopic Mass:
344.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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