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Home > Boronic Acids > 1312312-78-9
1312312-78-9 | 1H-Pyrazolo[3,4-b]pyridine, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1312312-78-9 Catalog No: AG000VR7 MDL No:MFCD16995953
Product Description
Catalog Number:
AG000VR7
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1312312-78-9
Molecular Formula:
C13H18BN3O2
Molecular Weight:
259.1119
MDL Number:
MFCD16995953
IUPAC Name:
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)10-6-9-7-16-17(5)11(9)15-8-10/h6-8H,1-5H3
InChI Key:
KXMPXUQJTUXRRL-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.149g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.116g/mol
Monoisotopic Mass:
259.149g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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