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94500-54-6

94500-54-6 structural image
Product Name: 11-chloromethylbenzo(a)pyrene
Formula: C21H13Cl
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COMPUTED DESCRIPTORS

Molecular Weight 300.8 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 300.0705781 g/mol
Monoisotopic Mass 300.0705781 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 418
Isotope Atom Count 0
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