Benzoic acid, 3,4,5-trifluoro-, methyl ester


Chemical Name: Benzoic acid, 3,4,5-trifluoro-, methyl ester
CAS Number: 773873-72-6
Product Number: AG0053SW(AGN-PC-0KL26V)
Synonyms:
MDL No:
Molecular Formula: C8H5F3O2
Molecular Weight: 190.1193

Identification/Properties


Properties
BP:
211.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
190.121g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
190.024g/mol
Monoisotopic Mass:
190.024g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
186
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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