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Home > Boronic Acids > 1022092-31-4
1022092-31-4 | 2-Butanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
CAS No: 1022092-31-4 Catalog No: AG0006X2 MDL No:MFCD16659790
Product Description
Catalog Number:
AG0006X2
Chemical Name:
2-Butanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
CAS Number:
1022092-31-4
Molecular Formula:
C13H21BN2O3
Molecular Weight:
264.1284
MDL Number:
MFCD16659790
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]butan-2-one
InChI:
InChI=1S/C13H21BN2O3/c1-6-11(17)9-16-8-10(7-15-16)14-18-12(2,3)13(4,5)19-14/h7-8H,6,9H2,1-5H3
InChI Key:
JEGIEQTZYGPNOI-UHFFFAOYSA-N
SMILES:
CCC(=O)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.132g/mol
Monoisotopic Mass:
264.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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