Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-


Chemical Name: Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-
CAS Number: 142167-36-0
Product Number: AG001HVG(AGN-PC-0N9ION)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NO
Molecular Weight: 187.1187

Identification/Properties


Computed Properties
Molecular Weight:
187.121g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
187.024g/mol
Monoisotopic Mass:
187.024g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
229
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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