Benzoic acid, 4-(trifluoromethyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(trifluoromethyl)-, methyl ester
CAS Number: 2967-66-0
Product Number: AG002Z1N(AGN-PC-0JS9HL)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties


Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.04g/mol
Monoisotopic Mass:
204.04g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
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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