3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one


Chemical Name: 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CAS Number: 153587-01-0
Product Number: AG003CUM(AGN-PC-0JK6XC)
Synonyms:
MDL No: MFCD00928190
Molecular Formula: C15H8F6N2O2
Molecular Weight: 362.2266

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.47 mg/mL
Computed Properties
Molecular Weight:
362.231g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
362.049g/mol
Monoisotopic Mass:
362.049g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
523
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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