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114084-97-8 | 3-Pyridinecarbonitrile, 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)-
CAS No: 114084-97-8 Catalog No: AG000AHV MDL No:MFCD01814436
Product Description
Catalog Number:
AG000AHV
Chemical Name:
3-Pyridinecarbonitrile, 2-(diethylamino)-6-phenyl-4-(trifluoromethyl)-
CAS Number:
114084-97-8
Molecular Formula:
C17H16F3N3
Molecular Weight:
319.3242
MDL Number:
MFCD01814436
IUPAC Name:
2-(diethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C17H16F3N3/c1-3-23(4-2)16-13(11-21)14(17(18,19)20)10-15(22-16)12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3
InChI Key:
KFYGEAREIUYUMI-UHFFFAOYSA-N
SMILES:
CCN(c1nc(cc(c1C#N)C(F)(F)F)c1ccccc1)CC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.331g/mol
Monoisotopic Mass:
319.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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