Benzoic acid, 3-(trifluoromethoxy)-


Chemical Name: Benzoic acid, 3-(trifluoromethoxy)-
CAS Number: 1014-81-9
Product Number: AG0004EW(AGN-PC-0JL6ZC)
Synonyms:
MDL No:
Molecular Formula: C8H5F3O3
Molecular Weight: 206.1187

Identification/Properties


Computed Properties
Molecular Weight:
206.12g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
206.019g/mol
Monoisotopic Mass:
206.019g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
214
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:
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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