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Home > Fluorides > 886493-68-1
886493-68-1 | 6-Cyclopropyl-2-methylsulfanyl-4-trifluoromethyl-nicotinonitrile
CAS No: 886493-68-1 Catalog No: AG01EY8L MDL No:
Product Description
Catalog Number:
AG01EY8L
Chemical Name:
6-Cyclopropyl-2-methylsulfanyl-4-trifluoromethyl-nicotinonitrile
CAS Number:
886493-68-1
Molecular Formula:
C11H9F3N2S
Molecular Weight:
258.2628
IUPAC Name:
6-cyclopropyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C11H9F3N2S/c1-17-10-7(5-15)8(11(12,13)14)4-9(16-10)6-2-3-6/h4,6H,2-3H2,1H3
InChI Key:
PUTKUNGNWIEJGH-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(c1C#N)C(F)(F)F)C1CC1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.262g/mol
Monoisotopic Mass:
258.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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