Benzoic acid, 5-(hydroxymethyl)-2-(trifluoromethyl)-, methyl ester


Chemical Name: Benzoic acid, 5-(hydroxymethyl)-2-(trifluoromethyl)-, methyl ester
CAS Number: 1567667-05-3
Product Number: AG019EW7(AG019EW7)
Synonyms:
MDL No:
Molecular Formula: C10H9F3O3
Molecular Weight: 234.1719

Identification/Properties


Computed Properties
Molecular Weight:
234.174g/mol
XLogP3:
1.8
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:
252
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

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NMR Spectrum


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