Free Chemical Databases
-
[Synonyms]
NSC404497
[Structure]
[ Properties Computed from Structure]
Molecular Weight 285.16422 [g/mol] Molecular Formula C11H18Cl2O4 XLogP 2.4 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 10 Exact Mass 284.058214 MonoIsotopic Mass 284.058214 Topological Polar Surface Area 52.6 Heavy Atom Count 17 Formal Charge 0 Complexity 222 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-(2-chloropropanoyloxy)pentyl 2-chloropropanoate
Canonical SMILES: CC(C(=O)OCCCCCOC(=O)C(C)Cl)Cl
InChI: InChI=1/C11H18Cl2O4/c1-8(12)10(14)16-6-4-3-5-7-17-11(15)9(2)13/h8-9H,
3-7H2,1-2H3
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