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872847-81-9 | Pyridazine, 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)-
CAS No: 872847-81-9 Catalog No: AG004HZ5 MDL No:
Product Description
Catalog Number:
AG004HZ5
Chemical Name:
Pyridazine, 4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)-
CAS Number:
872847-81-9
Molecular Formula:
C18H12ClF3N2
Molecular Weight:
348.7495
IUPAC Name:
4-(4-chlorophenyl)-3,6-dimethyl-5-(2,4,6-trifluorophenyl)pyridazine
InChI:
InChI=1S/C18H12ClF3N2/c1-9-16(11-3-5-12(19)6-4-11)17(10(2)24-23-9)18-14(21)7-13(20)8-15(18)22/h3-8H,1-2H3
InChI Key:
LTNFJNSFKOZRJE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(C)nnc(c1c1c(F)cc(cc1F)F)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.753g/mol
Monoisotopic Mass:
348.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Synthesis and fungicidal activity of tubulin polymerisation promoters. Part 2: pyridazines. | Bioorganic & medicinal chemistry 20120501 |
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