Benzeneacetic acid, 3-fluoro-5-(trifluoromethyl)-


Chemical Name: Benzeneacetic acid, 3-fluoro-5-(trifluoromethyl)-
CAS Number: 195447-79-1
Product Number: AG003JGP(AGN-PC-0KKN1H)
Synonyms:
MDL No: MFCD00061188
Molecular Formula: C9H6F4O2
Molecular Weight: 222.1364

Identification/Properties


Properties
MP:
109-112℃
BP:
242.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
222.139g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
222.03g/mol
Monoisotopic Mass:
222.03g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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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