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85365-21-5 | 1,2,4-Oxadiazole, 5-[1-[4-(2,4-dichlorophenoxy)phenoxy]ethyl]-3-methyl-
CAS No: 85365-21-5 Catalog No: AG004U23 MDL No:
Product Description
Catalog Number:
AG004U23
Chemical Name:
1,2,4-Oxadiazole, 5-[1-[4-(2,4-dichlorophenoxy)phenoxy]ethyl]-3-methyl-
CAS Number:
85365-21-5
Molecular Formula:
C17H14Cl2N2O3
Molecular Weight:
365.2107
IUPAC Name:
5-[1-[4-(2,4-dichlorophenoxy)phenoxy]ethyl]-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C17H14Cl2N2O3/c1-10(17-20-11(2)21-24-17)22-13-4-6-14(7-5-13)23-16-8-3-12(18)9-15(16)19/h3-10H,1-2H3
InChI Key:
QSTSPWCLVBOPRA-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.21g/mol
Monoisotopic Mass:
364.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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