Benzoic acid, 3-(trifluoromethoxy)-, methyl ester


Chemical Name: Benzoic acid, 3-(trifluoromethoxy)-, methyl ester
CAS Number: 148438-00-0
Product Number: AG001KXT(AGN-PC-0JS8NH)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O3
Molecular Weight: 220.1453

Identification/Properties


Computed Properties
Molecular Weight:
220.14g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
220.034729g/mol
Monoisotopic Mass:
220.034729g/mol
Topological Polar Surface Area:
35.5Ų
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
227
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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