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823216-30-4 | Benzenamine, N-decyl-4-[2-(4-quinolinyl)ethenyl]-3-(trifluoromethyl)-
CAS No: 823216-30-4 Catalog No: AG0054J0 MDL No:
Product Description
Catalog Number:
AG0054J0
Chemical Name:
Benzenamine, N-decyl-4-[2-(4-quinolinyl)ethenyl]-3-(trifluoromethyl)-
CAS Number:
823216-30-4
Molecular Formula:
C28H33F3N2
Molecular Weight:
454.5702
IUPAC Name:
N-decyl-4-(2-quinolin-4-ylethenyl)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C28H33F3N2/c1-2-3-4-5-6-7-8-11-19-32-24-17-16-23(26(21-24)28(29,30)31)15-14-22-18-20-33-27-13-10-9-12-25(22)27/h9-10,12-18,20-21,32H,2-8,11,19H2,1H3
InChI Key:
LDBOJJOQYSHUSF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNc1ccc(c(c1)C(F)(F)F)C=Cc1ccnc2c1cccc2
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.26g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.581g/mol
Monoisotopic Mass:
454.26g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.8
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