Home Nitriles 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]malononitrile

2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]malononitrile

CAS No.:
338956-33-5
Catalog Number:
AG00CRI0
Molecular Formula:
C9H3ClF3N3
Molecular Weight:
245.5884
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Product Description
Catalog Number:
AG00CRI0
Chemical Name:
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]malononitrile
CAS Number:
338956-33-5
Molecular Formula:
C9H3ClF3N3
Molecular Weight:
245.5884
MDL Number:
MFCD01315462
IUPAC Name:
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedinitrile
InChI:
InChI=1S/C9H3ClF3N3/c10-7-1-6(9(11,12)13)4-16-8(7)5(2-14)3-15/h1,4-5H
InChI Key:
VTOFPCYTNQCBJU-UHFFFAOYSA-N
SMILES:
N#CC(c1ncc(cc1Cl)C(F)(F)F)C#N
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.589g/mol
Monoisotopic Mass:
244.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties