Benzeneacetonitrile, 3-(trifluoromethoxy)-


Chemical Name: Benzeneacetonitrile, 3-(trifluoromethoxy)-
CAS Number: 108307-56-8
Product Number: AG003BAI(AGN-PC-0JS82L)
Synonyms:
MDL No:
Molecular Formula: C9H6F3NO
Molecular Weight: 201.1452

Identification/Properties


Properties
BP:
224.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.448
Computed Properties
Molecular Weight:
201.148g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
201.04g/mol
Monoisotopic Mass:
201.04g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
230
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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