3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid


Chemical Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CAS Number: 500025-07-0
Product Number: AG00DFX0(AGN-PC-0LWT9E)
Synonyms:
MDL No:
Molecular Formula: C11H9FN2O3
Molecular Weight: 236.1992

Identification/Properties


Computed Properties
Molecular Weight:
236.202g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
236.06g/mol
Monoisotopic Mass:
236.06g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
269
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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