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Home > Boronic Acids > 1333319-78-0
1333319-78-0 | Ethanone, 1-[6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl]-
CAS No: 1333319-78-0 Catalog No: AG0014OU MDL No:
Product Description
Catalog Number:
AG0014OU
Chemical Name:
Ethanone, 1-[6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl]-
CAS Number:
1333319-78-0
Molecular Formula:
C15H18BFN2O3
Molecular Weight:
304.1244
IUPAC Name:
1-[6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone
InChI:
InChI=1S/C15H18BFN2O3/c1-9(20)19-13-7-10(17)6-12(11(13)8-18-19)16-21-14(2,3)15(4,5)22-16/h6-8H,1-5H3
InChI Key:
HXLZYOWKAQSUKL-UHFFFAOYSA-N
SMILES:
Fc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)n(nc2)C(=O)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.139g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.128g/mol
Monoisotopic Mass:
304.139g/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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