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71942-38-6

71942-38-6 structural image
Product Name: 5,6-BENZOCOUMARIN-3-CARBONYL CHLORIDE
Formula: C14H7ClO3
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COMPUTED DESCRIPTORS

Molecular Weight 258.65 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 258.0083718 g/mol
Monoisotopic Mass 258.0083718 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 415
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