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Home > Boronic Acids > 1383446-11-4
1383446-11-4 | 1H-Pyrazolo[3,4-b]pyridine, 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-
CAS No: 1383446-11-4 Catalog No: AG0018L0 MDL No:
Product Description
Catalog Number:
AG0018L0
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-
CAS Number:
1383446-11-4
Molecular Formula:
C31H29BFN3O2
Molecular Weight:
505.3903
IUPAC Name:
5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C31H29BFN3O2/c1-29(2)30(3,4)38-32(37-29)27-26-20-25(33)21-34-28(26)36(35-27)31(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,1-4H3
InChI Key:
UGPRKYAMNVLJEL-UHFFFAOYSA-N
SMILES:
Fc1cnc2c(c1)c(nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.234g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.4g/mol
Monoisotopic Mass:
505.234g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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