4-METHOXY-2,3,5-TRIFLUOROBENZOIC ACID


Chemical Name: 4-METHOXY-2,3,5-TRIFLUOROBENZOIC ACID
CAS Number: 1003709-67-8
Product Number: AG0001RX(AGN-PC-03OS4F)
Synonyms:
MDL No:
Molecular Formula: C8H5F3O3
Molecular Weight: 206.1187

Identification/Properties


Computed Properties
Molecular Weight:
206.12g/mol
XLogP3:
1.7
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:
224
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

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NMR Spectrum


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