Home Aminos 4-[(Trifluoroacetyl)amino]benzoic acid

4-[(Trifluoroacetyl)amino]benzoic acid

CAS No.:
404-26-2
Catalog Number:
AG0072XB
Molecular Formula:
C9H6F3NO3
Molecular Weight:
233.1440
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0072XB
Chemical Name:
4-[(Trifluoroacetyl)amino]benzoic acid
CAS Number:
404-26-2
Molecular Formula:
C9H6F3NO3
Molecular Weight:
233.1440
MDL Number:
MFCD00454055
IUPAC Name:
4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
InChI:
InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h1-4H,(H,13,16)(H,14,15)
InChI Key:
TZDURDLECJWHJD-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1ccc(cc1)C(=O)O
NSC Number:
150503
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.146g/mol
Monoisotopic Mass:
233.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties