Benzoic acid, 4-methoxy-2-(trifluoromethyl)-


Chemical Name: Benzoic acid, 4-methoxy-2-(trifluoromethyl)-
CAS Number: 127817-85-0
Product Number: AG000XFJ(AGN-PC-0KKWRF)
Synonyms:
MDL No: MFCD01091013
Molecular Formula: C9H7F3O3
Molecular Weight: 220.1453

Identification/Properties


Properties
MP:
147-150 °C
BP:
274.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
220.147g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
220.035g/mol
Monoisotopic Mass:
220.035g/mol
Topological Polar Surface Area:
46.5A^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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