Free Chemical Databases
-
[Synonyms]
NSC404637
[Structure]
[ Properties Computed from Structure]
Molecular Weight 247.11778 [g/mol] Molecular Formula C11H12Cl2O2 XLogP 3.7 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Exact Mass 246.021435 MonoIsotopic Mass 246.021435 Topological Polar Surface Area 26.3 Heavy Atom Count 15 Formal Charge 0 Complexity 219 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2,4-dichlorophenyl)methyl 2-methylpropanoate
Canonical SMILES: CC(C)C(=O)OCC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1/C11H12Cl2O2/c1-7(2)11(14)15-6-8-3-4-9(12)5-10(8)13/h3-5,7H,6H2,
1-2H3
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