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1189693-80-8

1189693-80-8 structural image
Product Name: 4-METHOXY-2,3,6-TRIMETHYLBENZYL BROMIDE-D3
Formula: C11H12BrD3O
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COMPUTED DESCRIPTORS

Molecular Weight 246.16 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 245.04946 g/mol
Monoisotopic Mass 245.04946 g/mol
Topological Polar Surface Area 9.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 160
Isotope Atom Count 3
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
Compound Is Canonicalized Yes