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Home > Boronic Acids > 1266084-51-8
1266084-51-8 | 4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide
CAS No: 1266084-51-8 Catalog No: AG01DFV6 MDL No:
Product Description
Catalog Number:
AG01DFV6
Chemical Name:
4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide
CAS Number:
1266084-51-8
Molecular Formula:
C17H14BF4NO3
Molecular Weight:
367.1026
IUPAC Name:
4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)
InChI Key:
PTYGDEXEGLDNAZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(F)(F)F)C(=O)Nc1ccc2c(c1)B(O)OC2(C)C
UNII:
2IOR2OO3GW
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.107g/mol
Monoisotopic Mass:
367.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Benzoxaboroles: a new class of potential drugs for human African trypanosomiasis. | Future medicinal chemistry 20110801 |
| SCYX-7158, an orally-active benzoxaborole for the treatment of stage 2 human African trypanosomiasis. | PLoS neglected tropical diseases 20110601 |
| Potential new drugs for human African trypanosomiasis: some progress at last. | Current opinion in infectious diseases 20101201 |
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