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Home > Boronic Acids > 1282518-81-3
1282518-81-3 | 1H-Pyrazole-1-acetaMide, α,α-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1282518-81-3 Catalog No: AG009C6M MDL No:
Product Description
Catalog Number:
AG009C6M
Chemical Name:
1H-Pyrazole-1-acetaMide, α,α-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1282518-81-3
Molecular Formula:
C13H22BN3O4
Molecular Weight:
295.1425
IUPAC Name:
2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanamide
InChI:
InChI=1S/C13H22BN3O3/c1-11(2,10(15)18)17-8-9(7-16-17)14-19-12(3,4)13(5,6)20-14/h7-8H,1-6H3,(H2,15,18)
InChI Key:
OCIONNLYXWAHSC-UHFFFAOYSA-N
SMILES:
NOC(=O)C(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.175g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.147g/mol
Monoisotopic Mass:
279.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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