Benzoxazole, 2-chloro-5-(trifluoromethyl)-


Chemical Name: Benzoxazole, 2-chloro-5-(trifluoromethyl)-
CAS Number: 114997-91-0
Product Number: AG000FIY(AGN-PC-000IWU)
Synonyms:
MDL No:
Molecular Formula: C8H3ClF3NO
Molecular Weight: 221.5637

Identification/Properties


Computed Properties
Molecular Weight:
221.563g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
220.986g/mol
Monoisotopic Mass:
220.986g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
223
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


NMR Spectrum


Other Analytical Data


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