Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol,2',7'-dibromo-, 1,1-dioxide


Chemical Name: Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol,2',7'-dibromo-, 1,1-dioxide
CAS Number: 16574-43-9
Product Number: AG001WC8(AGN-PC-0Q8RIU)
Synonyms:
MDL No:
Molecular Formula: C19H10Br2O8S
Molecular Weight: 558.1509

Identification/Properties


Computed Properties
Molecular Weight:
558.149g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
0
Exact Mass:
557.844g/mol
Monoisotopic Mass:
555.846g/mol
Topological Polar Surface Area:
142A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
756
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

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NMR Spectrum


Other Analytical Data


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