Benzoic acid, 5-methoxy-2-(2,2,2-trifluoroethoxy)-


Chemical Name: Benzoic acid, 5-methoxy-2-(2,2,2-trifluoroethoxy)-
CAS Number: 175205-34-2
Product Number: AG0020O5(AGN-PC-0KKWR3)
Synonyms:
MDL No:
Molecular Formula: C10H9F3O4
Molecular Weight: 250.1713

Identification/Properties


Computed Properties
Molecular Weight:
250.173g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
250.045g/mol
Monoisotopic Mass:
250.045g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
267
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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