2-tert-butyl-3-hydroxy-5-(trifluoromethyl)-3H-isoindol-1-one


Chemical Name: 2-tert-butyl-3-hydroxy-5-(trifluoromethyl)-3H-isoindol-1-one
CAS Number: 1242336-73-7
Product Number: AG000LQ6(AGN-PC-09PZH9)
Synonyms:
MDL No:
Molecular Formula: C13H14F3NO2
Molecular Weight: 273.2510

Identification/Properties


Computed Properties
Molecular Weight:
273.255g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
273.098g/mol
Monoisotopic Mass:
273.098g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
375
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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