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831224-45-4 | 4H-1-Benzopyran-4-one, 2-(2-hydroxy-3,5-diiodophenyl)-6,8-diiodo-
CAS No: 831224-45-4 Catalog No: AG004W3J MDL No:
Product Description
Catalog Number:
AG004W3J
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2-hydroxy-3,5-diiodophenyl)-6,8-diiodo-
CAS Number:
831224-45-4
Molecular Formula:
C15H6I4O3
Molecular Weight:
741.8242
IUPAC Name:
2-(2-hydroxy-3,5-diiodophenyl)-6,8-diiodochromen-4-one
InChI:
InChI=1S/C15H6I4O3/c16-6-1-8-12(20)5-13(22-15(8)11(19)4-6)9-2-7(17)3-10(18)14(9)21/h1-5,21H
InChI Key:
WEKFWANIYMICSV-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1)c1cc(=O)c2c(o1)c(I)cc(c2)I)O
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
741.65g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
741.828g/mol
Monoisotopic Mass:
741.65g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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