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84654-29-5

84654-29-5 structural image
Product Name: ETHYL 5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE
Formula: C7H8BrNO3
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COMPUTED DESCRIPTORS

Molecular Weight 234.05 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 232.96876 g/mol
Monoisotopic Mass 232.96876 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 165
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