Benzoic acid, pentafluoro-, methyl ester


Chemical Name: Benzoic acid, pentafluoro-, methyl ester
CAS Number: 36629-42-2
Product Number: AG003S1T(AGN-PC-0JTOVI)
Synonyms:
MDL No:
Molecular Formula: C8H3F5O2
Molecular Weight: 226.1002

Identification/Properties


Properties
BP:
222.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.431(lit.)
Computed Properties
Molecular Weight:
226.102g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
226.005g/mol
Monoisotopic Mass:
226.005g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
233
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


NMR Spectrum


Other Analytical Data


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