2-Furancarboxylic acid, 5-[3-(trifluoromethyl)phenyl]-


Chemical Name: 2-Furancarboxylic acid, 5-[3-(trifluoromethyl)phenyl]-
CAS Number: 54022-99-0
Product Number: AG00D8NK(AGN-PC-0JUYLX)
Synonyms:
MDL No:
Molecular Formula: C12H7F3O3
Molecular Weight: 256.1774

Identification/Properties


Properties
MP:
199-205°C(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
256.18g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
256.035g/mol
Monoisotopic Mass:
256.035g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
316
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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