Free Chemical Databases
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[Synonyms]
NSC600034
[Structure]
[ Properties Computed from Structure]
Molecular Weight 520.20896 [g/mol] Molecular Formula C20H24Br2O6 XLogP 3.9 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 9 Exact Mass 519.991917 MonoIsotopic Mass 517.993964 Topological Polar Surface Area 55.4 Heavy Atom Count 28 Formal Charge 0 Complexity 388 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-[1,2-dibromo-2-(3,4,5-trimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(C(C2=CC(=C(C(=C2)OC)OC)OC)Br)Br
InChI: InChI=1/C20H24Br2O6/c1-23-13-7-11(8-14(24-2)19(13)27-5)17(21)18(22)12-9-
15(25-3)20(28-6)16(10-12)26-4/h7-10,17-18H,1-6H3
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