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Home Nitriles 3-(morpholin-4-yl)-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile

3-(morpholin-4-yl)-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile

CAS No.:
941133-79-5
Catalog Number:
AG019KOQ
Molecular Formula:
C13H12F3N3O2
Molecular Weight:
299.2485
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Product Description
Catalog Number:
AG019KOQ
Chemical Name:
3-(morpholin-4-yl)-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile
CAS Number:
941133-79-5
Molecular Formula:
C13H12F3N3O2
Molecular Weight:
299.2485
MDL Number:
MFCD09396713
IUPAC Name:
3-morpholin-4-yl-3-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile
InChI:
InChI=1S/C13H12F3N3O2/c14-13(15,16)9-1-2-11(18-8-9)10(7-17)12(20)19-3-5-21-6-4-19/h1-2,8,10H,3-6H2
InChI Key:
MMRRGSLFISDXOY-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)N1CCOCC1)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.088g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.253g/mol
Monoisotopic Mass:
299.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties