3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid


Chemical Name: 3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CAS Number: 1261975-94-3
Product Number: AG000S9S(AGN-PC-09O0C1)
Synonyms:
MDL No:
Molecular Formula: C15H9F3O4
Molecular Weight: 310.2248

Identification/Properties


Computed Properties
Molecular Weight:
310.228g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
310.045g/mol
Monoisotopic Mass:
310.045g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
427
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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