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1260811-56-0 | 3-Quinolinecarbonitrile, 4-amino-6-ethenyl-2-(trifluoromethyl)-
CAS No: 1260811-56-0 Catalog No: AG000RCQ MDL No:
Product Description
Catalog Number:
AG000RCQ
Chemical Name:
3-Quinolinecarbonitrile, 4-amino-6-ethenyl-2-(trifluoromethyl)-
CAS Number:
1260811-56-0
Molecular Formula:
C13H8F3N3
Molecular Weight:
263.2179
IUPAC Name:
4-amino-6-ethenyl-2-(trifluoromethyl)quinoline-3-carbonitrile
InChI:
InChI=1S/C13H8F3N3/c1-2-7-3-4-10-8(5-7)11(18)9(6-17)12(19-10)13(14,15)16/h2-5H,1H2,(H2,18,19)
InChI Key:
HMDYOIHFWSIUOY-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)c2cc(C=C)ccc2nc1C(F)(F)F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.223g/mol
Monoisotopic Mass:
263.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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