Home Halogens 2-Pyridineacetonitrile, 3-chloro-5-(trifluoromethyl)-

2-Pyridineacetonitrile, 3-chloro-5-(trifluoromethyl)-

CAS No.:
157764-10-8
Catalog Number:
AG001POA
Molecular Formula:
C8H4ClF3N2
Molecular Weight:
220.5790
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Product Description
Catalog Number:
AG001POA
Chemical Name:
2-Pyridineacetonitrile, 3-chloro-5-(trifluoromethyl)-
CAS Number:
157764-10-8
Molecular Formula:
C8H4ClF3N2
Molecular Weight:
220.5790
MDL Number:
MFCD08444379
IUPAC Name:
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetonitrile
InChI:
InChI=1S/C8H4ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1H2
InChI Key:
QSFVBRUYPUNIPH-UHFFFAOYSA-N
SMILES:
N#CCc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.579g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties