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1260863-08-8 | 3-Quinolinecarbonitrile, 4-amino-6-(2-propen-1-yl)-2-(trifluoromethyl)-
CAS No: 1260863-08-8 Catalog No: AG000RHT MDL No:
Product Description
Catalog Number:
AG000RHT
Chemical Name:
3-Quinolinecarbonitrile, 4-amino-6-(2-propen-1-yl)-2-(trifluoromethyl)-
CAS Number:
1260863-08-8
Molecular Formula:
C14H10F3N3
Molecular Weight:
277.2445
IUPAC Name:
4-amino-6-prop-2-enyl-2-(trifluoromethyl)quinoline-3-carbonitrile
InChI:
InChI=1S/C14H10F3N3/c1-2-3-8-4-5-11-9(6-8)12(19)10(7-18)13(20-11)14(15,16)17/h2,4-6H,1,3H2,(H2,19,20)
InChI Key:
HABDNEPKCFMNSZ-UHFFFAOYSA-N
SMILES:
C=CCc1ccc2c(c1)c(N)c(c(n2)C(F)(F)F)C#N
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.25g/mol
Monoisotopic Mass:
277.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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