Free Chemical Databases
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[Synonyms]
NSC27869
[Structure]
[ Properties Computed from Structure]
Molecular Weight 352.01918 [g/mol] Molecular Formula C11H12Br2O3 XLogP 3.8 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 4 Exact Mass 351.913273 MonoIsotopic Mass 349.915319 Topological Polar Surface Area 27.7 Heavy Atom Count 16 Formal Charge 0 Complexity 227 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-(2,3-dibromopropyl)-6-methoxy-1,3-benzodioxole
Canonical SMILES: COC1=CC2=C(C=C1CC(CBr)Br)OCO2
InChI: InChI=1/C11H12Br2O3/c1-14-9-4-11-10(15-6-16-11)3-7(9)2-8(13)5-12/h3-4,
8H,2,5-6H2,1H3
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