Home Nitriles 2-(Trifluoromethyl)nicotinonitrile

2-(Trifluoromethyl)nicotinonitrile

CAS No.:
870066-15-2
Catalog Number:
AG003F5V
Molecular Formula:
C7H3F3N2
Molecular Weight:
172.1073
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Product Description
Catalog Number:
AG003F5V
Chemical Name:
2-(Trifluoromethyl)nicotinonitrile
CAS Number:
870066-15-2
Molecular Formula:
C7H3F3N2
Molecular Weight:
172.1073
MDL Number:
MFCD08741366
IUPAC Name:
2-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H3F3N2/c8-7(9,10)6-5(4-11)2-1-3-12-6/h1-3H
InChI Key:
APSXEJUOOOHRGS-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1C(F)(F)F
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.11g/mol
Monoisotopic Mass:
172.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties