Home Nitriles 2-Trifluoromethyl-isonicotinonitrile

2-Trifluoromethyl-isonicotinonitrile

CAS No.:
916210-02-1
Catalog Number:
AG00GXVY
Molecular Formula:
C7H3F3N2
Molecular Weight:
172.1073
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Product Description
Catalog Number:
AG00GXVY
Chemical Name:
2-Trifluoromethyl-isonicotinonitrile
CAS Number:
916210-02-1
Molecular Formula:
C7H3F3N2
Molecular Weight:
172.1073
MDL Number:
MFCD11848100
IUPAC Name:
2-(trifluoromethyl)pyridine-4-carbonitrile
InChI:
InChI=1S/C7H3F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H
InChI Key:
MLFFNKLBERSEPF-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)C(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:
1.3  
Properties