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Home > Boronic Acids > 1056039-90-7
1056039-90-7 | 6-(1H-Tetrazol-1-yl)pyridine-3-boronic acid pinacol ester
CAS No: 1056039-90-7 Catalog No: AG018Q0R MDL No:MFCD13191357
Product Description
Catalog Number:
AG018Q0R
Chemical Name:
6-(1H-Tetrazol-1-yl)pyridine-3-boronic acid pinacol ester
CAS Number:
1056039-90-7
Molecular Formula:
C12H16BN5O2
Molecular Weight:
273.0987
MDL Number:
MFCD13191357
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(tetrazol-1-yl)pyridine
InChI:
InChI=1S/C12H16BN5O2/c1-11(2)12(3,4)20-13(19-11)9-5-6-10(14-7-9)18-8-15-16-17-18/h5-8H,1-4H3
InChI Key:
DPCOSDKYSMWJHS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(nc1)n1cnnn1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.103g/mol
Monoisotopic Mass:
273.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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