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Home > Boronic Acids > 1319591-26-8
1319591-26-8 | 1H-Pyrazolo[3,4-b]pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-
CAS No: 1319591-26-8 Catalog No: AG000ZYL MDL No:
Product Description
Catalog Number:
AG000ZYL
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-
CAS Number:
1319591-26-8
Molecular Formula:
C31H30BN3O2
Molecular Weight:
487.3998
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C31H30BN3O2/c1-29(2)30(3,4)37-32(36-29)27-26-21-14-22-33-28(26)35(34-27)31(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-22H,1-4H3
InChI Key:
KKYPZKHAVFUVKT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1nn(c2c1cccn2)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.243g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.41g/mol
Monoisotopic Mass:
487.243g/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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