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Home > Boronic Acids > 1486485-41-9
1486485-41-9 | 1-{[4-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-pyrazole
CAS No: 1486485-41-9 Catalog No: AG019ZPN MDL No:MFCD22375298
Product Description
Catalog Number:
AG019ZPN
Chemical Name:
1-{[4-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-pyrazole
CAS Number:
1486485-41-9
Molecular Formula:
C16H20BFN2O2
Molecular Weight:
302.1516
MDL Number:
MFCD22375298
IUPAC Name:
1-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrazole
InChI:
InChI=1S/C16H20BFN2O2/c1-15(2)16(3,4)22-17(21-15)13-10-12(6-7-14(13)18)11-20-9-5-8-19-20/h5-10H,11H2,1-4H3
InChI Key:
UBOWOPWZMCKBEM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Cn1cccn1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.156g/mol
Monoisotopic Mass:
302.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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