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138650-62-1 | Octanoic acid, 6-chloro-3-(4-chlorophenyl)-4-pyridazinyl ester
CAS No: 138650-62-1 Catalog No: AG0018YA MDL No:
Product Description
Catalog Number:
AG0018YA
Chemical Name:
Octanoic acid, 6-chloro-3-(4-chlorophenyl)-4-pyridazinyl ester
CAS Number:
138650-62-1
Molecular Formula:
C18H20Cl2N2O2
Molecular Weight:
367.2696
IUPAC Name:
[6-chloro-3-(4-chlorophenyl)pyridazin-4-yl] octanoate
InChI:
InChI=1S/C18H20Cl2N2O2/c1-2-3-4-5-6-7-17(23)24-15-12-16(20)21-22-18(15)13-8-10-14(19)11-9-13/h8-12H,2-7H2,1H3
InChI Key:
HSKJTJCBZWPVCF-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1cc(Cl)nnc1c1ccc(cc1)Cl
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.27g/mol
Monoisotopic Mass:
366.09g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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