3-(chloromethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole


Chemical Name: 3-(chloromethyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CAS Number: 890095-69-9
Product Number: AG00GTLU(AGN-PC-015L7K)
Synonyms:
MDL No:
Molecular Formula: C4H2ClF3N2O
Molecular Weight: 186.5197

Identification/Properties


Computed Properties
Molecular Weight:
186.52g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
185.980775g/mol
Monoisotopic Mass:
185.980775g/mol
Topological Polar Surface Area:
38.9Ų
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
142
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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