Home Nitriles 2-[5-(trifluoromethyl)pyridin-2-yl]propanedinitrile

2-[5-(trifluoromethyl)pyridin-2-yl]propanedinitrile

CAS No.:
377760-12-8
Catalog Number:
AG01B9XX
Molecular Formula:
C9H4F3N3
Molecular Weight:
211.1434
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Product Description
Catalog Number:
AG01B9XX
Chemical Name:
2-[5-(trifluoromethyl)pyridin-2-yl]propanedinitrile
CAS Number:
377760-12-8
Molecular Formula:
C9H4F3N3
Molecular Weight:
211.1434
MDL Number:
MFCD02713592
IUPAC Name:
2-[5-(trifluoromethyl)pyridin-2-yl]propanedinitrile
InChI:
InChI=1S/C9H4F3N3/c10-9(11,12)7-1-2-8(15-5-7)6(3-13)4-14/h1-2,5-6H
InChI Key:
RXCBLNFXYDTDFM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cn1)C(F)(F)F)C#N
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.036g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.147g/mol
Monoisotopic Mass:
211.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties