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Home Other Building Blocks 4-Fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide

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 Number:
AG01DFV6
Molecular Formula:
C17H14BF4NO3
Molecular Weight:
367.1026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$543
- +
10mg
99%
1 week
United States
$862
- +
50mg
99%
1 week
United States
$2279
- +
100mg
99%
1 week
United States
$3529
- +
250mg
99%
1 week
United States
$5335
- +
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
MDL Number:
MFCD30532746
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
Properties