Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-


Chemical Name: Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-
CAS Number: 209991-64-0
Product Number: AG002KI4(AGN-PC-0L17G9)
Synonyms:
MDL No:
Molecular Formula: C9H6F4O2
Molecular Weight: 222.1364

Identification/Properties


Properties
MP:
78-81℃
BP:
255.7 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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