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81226-82-6 | N-[1-(3,4-DICHLOROPHENYL)NON-1-EN-3-YLIDENEAMINO]-2,3,4,5,6-PENTAFLUORO-ANILINE
CAS No: 81226-82-6 Catalog No: AG0054VQ MDL No:
Product Description
Catalog Number:
AG0054VQ
Chemical Name:
N-[1-(3,4-DICHLOROPHENYL)NON-1-EN-3-YLIDENEAMINO]-2,3,4,5,6-PENTAFLUORO-ANILINE
CAS Number:
81226-82-6
Molecular Formula:
C21H19Cl2F5N2
Molecular Weight:
465.2870
IUPAC Name:
N-[1-(3,4-dichlorophenyl)non-1-en-3-ylideneamino]-2,3,4,5,6-pentafluoroaniline
InChI:
InChI=1S/C21H19Cl2F5N2/c1-2-3-4-5-6-13(9-7-12-8-10-14(22)15(23)11-12)29-30-21-19(27)17(25)16(24)18(26)20(21)28/h7-11,30H,2-6H2,1H3
InChI Key:
CLGVMPBHQNATGJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=NNc1c(F)c(F)c(c(c1F)F)F)C=Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.085g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.289g/mol
Monoisotopic Mass:
464.085g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
8.4
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