3-chloro-5-(trifluoromethyl)Benzeneacetonitrile


Chemical Name: 3-chloro-5-(trifluoromethyl)Benzeneacetonitrile
CAS Number: 886496-95-3
Product Number: AG00GY76(AGN-PC-0KZ5P8)
Synonyms:
MDL No: MFCD04115850
Molecular Formula: C9H5ClF3N
Molecular Weight: 219.5909

Identification/Properties


Computed Properties
Molecular Weight:
219.591g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
219.006g/mol
Monoisotopic Mass:
219.006g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
242
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

Safety Information


NMR Spectrum


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