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Home > Boronic Acids > 1056040-59-5
1056040-59-5 | 6-(1H-1,2,3-triazol-1-yl)pyridine-3-boronic acid pinacol ester
CAS No: 1056040-59-5 Catalog No: AG00HAO4 MDL No:MFCD13191355
Product Description
Catalog Number:
AG00HAO4
Chemical Name:
6-(1H-1,2,3-triazol-1-yl)pyridine-3-boronic acid pinacol ester
CAS Number:
1056040-59-5
Molecular Formula:
C13H17BN4O2
Molecular Weight:
272.1107
MDL Number:
MFCD13191355
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(triazol-1-yl)pyridine
InChI:
InChI=1S/C13H17BN4O2/c1-12(2)13(3,4)20-14(19-12)10-5-6-11(15-9-10)18-8-7-16-17-18/h5-9H,1-4H3
InChI Key:
ZZGDJFPWUVVJQU-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(nc1)n1nncc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.144g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.115g/mol
Monoisotopic Mass:
272.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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