Benzeneacetic acid, a-methoxy-a-(trifluoromethyl)-, (aS)-


Chemical Name: Benzeneacetic acid, a-methoxy-a-(trifluoromethyl)-, (aS)-
CAS Number: 17257-71-5
Product Number: AG00HZL0(AGN-PC-0QA3VJ)
Synonyms:
MDL No:
Molecular Formula: C10H9F3O3
Molecular Weight: 234.1719

Identification/Properties


Properties
MP:
46-49 °C(lit.)
BP:
95-97 °C0.05 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Stability:
Hygroscopic
Refractive Index:
n20/D 1.474(lit.)
Solubility:
Readily soluble in hexane, ether, THF, CH2Cl2, benzene.
Computed Properties
Molecular Weight:
234.174g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
234.05g/mol
Monoisotopic Mass:
234.05g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
259
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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