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Home > Fluorides > 1000564-90-8
1000564-90-8 | 2-Pyridineacetonitrile, 6-(trifluoromethyl)-
CAS No: 1000564-90-8 Catalog No: AG0000QB MDL No:MFCD09923756
Product Description
Catalog Number:
AG0000QB
Chemical Name:
2-Pyridineacetonitrile, 6-(trifluoromethyl)-
CAS Number:
1000564-90-8
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD09923756
IUPAC Name:
2-[6-(trifluoromethyl)pyridin-2-yl]acetonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-1-2-6(13-7)4-5-12/h1-3H,4H2
InChI Key:
GGFKLGNJHDHBMS-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(n1)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:
1.5
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