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1000529-97-4 | 3-Pyridineacetonitrile, 2-(trifluoromethyl)-
CAS No: 1000529-97-4 Catalog No: AG0000PU MDL No:
Product Description
Catalog Number:
AG0000PU
Chemical Name:
3-Pyridineacetonitrile, 2-(trifluoromethyl)-
CAS Number:
1000529-97-4
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
IUPAC Name:
2-[2-(trifluoromethyl)pyridin-3-yl]acetonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)7-6(3-4-12)2-1-5-13-7/h1-2,5H,3H2
InChI Key:
KOBJGXAOLWPNNU-UHFFFAOYSA-N
SMILES:
N#CCc1cccnc1C(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
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