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1165-94-2 | 4H-1-Benzopyran-4-one, 8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)-
CAS No: 1165-94-2 Catalog No: AG000CNJ MDL No:
Product Description
Catalog Number:
AG000CNJ
Chemical Name:
4H-1-Benzopyran-4-one, 8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)-
CAS Number:
1165-94-2
Molecular Formula:
C18H15IO5
Molecular Weight:
438.2132
IUPAC Name:
8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H15IO5/c1-21-11-6-4-10(5-7-11)13-8-12(20)16-14(22-2)9-15(23-3)17(19)18(16)24-13/h4-9H,1-3H3
InChI Key:
IQMRCLWZANBISD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(I)c(cc2OC)OC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.996g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.217g/mol
Monoisotopic Mass:
437.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Chalcones and flavonoids as anti-tuberculosis agents. | Bioorganic & medicinal chemistry 20020801 |
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