2-Fluoro-4-trifluoromethylbenzoic acid methyl ester


Chemical Name: 2-Fluoro-4-trifluoromethylbenzoic acid methyl ester
CAS Number: 220162-64-1
Product Number: AG00BIX7(AGN-PC-0WALN5)
Synonyms:
MDL No:
Molecular Formula: C9H6F4O2
Molecular Weight: 222.1364

Identification/Properties


Computed Properties
Molecular Weight:
222.139g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
222.03g/mol
Monoisotopic Mass:
222.03g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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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