3,3-bis(4-hydroxy-3,5-diiodo-phenyl)isobenzofuran-1-one


Chemical Name: 3,3-bis(4-hydroxy-3,5-diiodo-phenyl)isobenzofuran-1-one
CAS Number: 386-17-4
Product Number: AG003UPB(AGN-PC-0JL830)
Synonyms:
MDL No:
Molecular Formula: C20H10I4O4
Molecular Weight: 821.9089

Identification/Properties


Properties
MP:
268 °C (dec.)(lit.)
BP:
658.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
821.914g/mol
XLogP3:
6.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
821.676g/mol
Monoisotopic Mass:
821.676g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
551
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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