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Home > Boronic Acids > 1150561-76-4
1150561-76-4 | Ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
CAS No: 1150561-76-4 Catalog No: AG000FSP MDL No:MFCD09027064
Product Description
Catalog Number:
AG000FSP
Chemical Name:
Ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
CAS Number:
1150561-76-4
Molecular Formula:
C11H17BN2O3
Molecular Weight:
236.0753
MDL Number:
MFCD09027064
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone
InChI:
InChI=1S/C11H17BN2O3/c1-8(15)14-7-9(6-13-14)12-16-10(2,3)11(4,5)17-12/h6-7H,1-5H3
InChI Key:
GAXOQGDPSCOOLC-UHFFFAOYSA-N
SMILES:
CC(=O)n1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.078g/mol
Monoisotopic Mass:
236.133g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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