Home Other Building Blocks 5-acetamido-2-(trifluoroacetamido)benzoic acid

5-acetamido-2-(trifluoroacetamido)benzoic acid

CAS No.:
1098397-49-9
Catalog Number:
AG01BU0N
Molecular Formula:
C11H9F3N2O4
Molecular Weight:
290.1954
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BU0N
Chemical Name:
5-acetamido-2-(trifluoroacetamido)benzoic acid
CAS Number:
1098397-49-9
Molecular Formula:
C11H9F3N2O4
Molecular Weight:
290.1954
MDL Number:
MFCD30723944
IUPAC Name:
5-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
InChI:
InChI=1S/C11H9F3N2O4/c1-5(17)15-6-2-3-8(7(4-6)9(18)19)16-10(20)11(12,13)14/h2-4H,1H3,(H,15,17)(H,16,20)(H,18,19)
InChI Key:
FUDWABRZEFUYEF-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(=O)O)NC(=O)C(F)(F)F
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.051g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
290.198g/mol
Monoisotopic Mass:
290.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties