2,3,5-trifluoro-4-methylbenzoic acid


Chemical Name: 2,3,5-trifluoro-4-methylbenzoic acid
CAS Number: 773869-50-4
Product Number: AG003FF9(AGN-PC-03Y534)
Synonyms:
MDL No: MFCD00456800
Molecular Formula: C8H5F3O2
Molecular Weight: 190.1193

Identification/Properties


Properties
BP:
265.3±35.0°C at 760 mmHg
Computed Properties
Molecular Weight:
190.121g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
190.024g/mol
Monoisotopic Mass:
190.024g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
210
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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