5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid


Chemical Name: 5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CAS Number: 1260774-15-9
Product Number: AG000R7D(AGN-PC-09RYTQ)
Synonyms:
MDL No:
Molecular Formula: C9H5ClN2O3
Molecular Weight: 224.6006

Identification/Properties


Computed Properties
Molecular Weight:
224.6g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
223.999g/mol
Monoisotopic Mass:
223.999g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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