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Home Other Building Blocks 4-({[3-(trifluoromethyl)phenyl]carbamoyl}methoxy)benzoic acid

4-({[3-(trifluoromethyl)phenyl]carbamoyl}methoxy)benzoic acid

CAS No.:
438029-90-4
Catalog Number:
AG019GGV
Molecular Formula:
C16H12F3NO4
Molecular Weight:
339.2660
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Product Description
Catalog Number:
AG019GGV
Chemical Name:
4-({[3-(trifluoromethyl)phenyl]carbamoyl}methoxy)benzoic acid
CAS Number:
438029-90-4
Molecular Formula:
C16H12F3NO4
Molecular Weight:
339.2660
MDL Number:
MFCD03478323
IUPAC Name:
4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoic acid
InChI:
InChI=1S/C16H12F3NO4/c17-16(18,19)11-2-1-3-12(8-11)20-14(21)9-24-13-6-4-10(5-7-13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChI Key:
USYPGRJORUFEPH-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(F)(F)F)COc1ccc(cc1)C(=O)O
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.072g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.27g/mol
Monoisotopic Mass:
339.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties