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


Chemical Name: Benzeneacetic acid, 3,5-bis(trifluoromethyl)-
CAS Number: 85068-33-3
Product Number: AG003IK7(AGN-PC-0JLOJQ)
Synonyms:
MDL No: MFCD00009908
Molecular Formula: C10H6F6O2
Molecular Weight: 272.1439

Identification/Properties


Properties
MP:
121-123 °C(lit.)
Storage:
Room Temperature;
Form:
Solid
Solubility:
methanol: soluble25mg/mL, clear, colorless
Computed Properties
Molecular Weight:
272.146g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
272.027g/mol
Monoisotopic Mass:
272.027g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
287
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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