3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one


Chemical Name: 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
CAS Number: 202821-81-6
Product Number: AG0028G8(AGN-PC-0N51QR)
Synonyms:
MDL No:
Molecular Formula: C16H10ClF3N2O3
Molecular Weight: 370.7104

Identification/Properties


Computed Properties
Molecular Weight:
370.712g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
370.033g/mol
Monoisotopic Mass:
370.033g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
535
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:
Danger
UN#:
2811
Hazard Statements:
H301-H413
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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