4-Nitro-3-(trifluoromethyl)phenyl]acetic acid


Chemical Name: 4-Nitro-3-(trifluoromethyl)phenyl]acetic acid
CAS Number: 1214332-25-8
Product Number: AG0014TH(AGN-PC-0WAL9E)
Synonyms:
MDL No:
Molecular Formula: C9H6F3NO4
Molecular Weight: 249.1434

Identification/Properties


Computed Properties
Molecular Weight:
249.145g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
249.025g/mol
Monoisotopic Mass:
249.025g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
312
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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