Benzoic acid, 4-(2,2,2-trifluoroethoxy)-


Chemical Name: Benzoic acid, 4-(2,2,2-trifluoroethoxy)-
CAS Number: 27914-56-3
Product Number: AG00BHIC(AGN-PC-0KZQ5X)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O3
Molecular Weight: 220.1453

Identification/Properties


Computed Properties
Molecular Weight:
220.147g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
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:
219
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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