Free Chemical Databases
-
[Synonyms]
NSC139192
[Structure]
[ Properties Computed from Structure]
Molecular Weight 505.79882 [g/mol] Molecular Formula C11H8Br2Cl4O4 XLogP 2.6 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 4 Exact Mass 505.749348 MonoIsotopic Mass 501.754345 Topological Polar Surface Area 52.6 Heavy Atom Count 21 Formal Charge 0 Complexity 520 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 4 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: dimethyl
7,7-dibromo-1,2,3,4-tetrachlorobicyclo[2.2.1]hept-2-ene-5,
6-dicarboxylate
Canonical SMILES: COC(=O)C1C(C2(C(=C(C1(C2(Br)Br)Cl)Cl)Cl)Cl)C(=O)OC
InChI: InChI=1/C11H8Br2Cl4O4/c1-20-7(18)3-4(8(19)21-2)10(17)6(15)5(14)9(3,
16)11(10,12)13/h3-4H,1-2H3
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