5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid


Chemical Name: 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
CAS Number: 175276-60-5
Product Number: AG0077NC(AGN-PC-0KK7YV)
Synonyms:
MDL No:
Molecular Formula: C12H6ClF3O3
Molecular Weight: 290.6224

Identification/Properties


Computed Properties
Molecular Weight:
290.622g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
289.996g/mol
Monoisotopic Mass:
289.996g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
340
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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