2,5-difluoro-4-(trifluoromethyl)benzonitrile


Chemical Name: 2,5-difluoro-4-(trifluoromethyl)benzonitrile
CAS Number: 261945-24-8
Product Number: AG01C9B3(AG01C9B3)
Synonyms:
MDL No:
Molecular Formula: C8H2F5N
Molecular Weight: 207.1002

Identification/Properties


Computed Properties
Molecular Weight:
207.103g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
207.011g/mol
Monoisotopic Mass:
207.011g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
252
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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