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1043689-54-8

1043689-54-8 structural image
Product Name: 5-(4-bromophenyl)-1-(tetrahydro-2H-pyran-2-yl)tetrazole
Formula: C12H13BrN4O
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COMPUTED DESCRIPTORS

Molecular Weight 309.16 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 308.02727 g/mol
Monoisotopic Mass 308.02727 g/mol
Topological Polar Surface Area 52.8 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 273
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
Compound Is Canonicalized Yes