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336181-03-4

336181-03-4 structural image
Product Name: ethyl 2-amino-5'-bromo-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
Formula: C21H21BrN2O5
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COMPUTED DESCRIPTORS

Molecular Weight 461.3 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 460.06338 g/mol
Monoisotopic Mass 460.06338 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 861
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