Home Nitriles 2-(5-(Trifluoromethyl)pyridin-2-yl)acetonitrile

2-(5-(Trifluoromethyl)pyridin-2-yl)acetonitrile

CAS No.:
939793-18-7
Catalog Number:
AG005WRD
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
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Product Description
Catalog Number:
AG005WRD
Chemical Name:
2-(5-(Trifluoromethyl)pyridin-2-yl)acetonitrile
CAS Number:
939793-18-7
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD08690162
IUPAC Name:
2-[5-(trifluoromethyl)pyridin-2-yl]acetonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-1-2-7(3-4-12)13-5-6/h1-2,5H,3H2
InChI Key:
GTMNJBOEUBLOPE-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cn1)C(F)(F)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties