Benzonitrile, 3-amino-5-(trifluoromethyl)-


Chemical Name: Benzonitrile, 3-amino-5-(trifluoromethyl)-
CAS Number: 49674-28-4
Product Number: AG00DHV3(AGN-PC-03Q9UC)
Synonyms:
MDL No:
Molecular Formula: C8H5F3N2
Molecular Weight: 186.1339

Identification/Properties


Computed Properties
Molecular Weight:
186.137g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
186.04g/mol
Monoisotopic Mass:
186.04g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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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