Benzoic acid, 4-amino-3-(trifluoromethoxy)-


Chemical Name: Benzoic acid, 4-amino-3-(trifluoromethoxy)-
CAS Number: 175278-22-5
Product Number: AG0020UN(AGN-PC-0KK7GT)
Synonyms:
MDL No:
Molecular Formula: C8H6F3NO3
Molecular Weight: 221.1333

Identification/Properties


Computed Properties
Molecular Weight:
221.135g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
221.03g/mol
Monoisotopic Mass:
221.03g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
244
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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