Home Nitriles 6-Fluoro-4-(trifluoromethyl)quinoline-2-carbonitrile

6-Fluoro-4-(trifluoromethyl)quinoline-2-carbonitrile

CAS No.:
1116339-60-6
Catalog Number:
AG0079EI
Molecular Formula:
C11H4F4N2
Molecular Weight:
240.1565
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Product Description
Catalog Number:
AG0079EI
Chemical Name:
6-Fluoro-4-(trifluoromethyl)quinoline-2-carbonitrile
CAS Number:
1116339-60-6
Molecular Formula:
C11H4F4N2
Molecular Weight:
240.1565
MDL Number:
MFCD11046312
IUPAC Name:
6-fluoro-4-(trifluoromethyl)quinoline-2-carbonitrile
InChI:
InChI=1S/C11H4F4N2/c12-6-1-2-10-8(3-6)9(11(13,14)15)4-7(5-16)17-10/h1-4H
InChI Key:
CCMMUSGUDKXSNB-UHFFFAOYSA-N
SMILES:
N#Cc1nc2ccc(cc2c(c1)C(F)(F)F)F
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.161g/mol
Monoisotopic Mass:
240.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties