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98153-12-9 | 4H-1-Benzopyran-4-one, 3-iodo-2-phenyl-
CAS No: 98153-12-9 Catalog No: AG0069KS MDL No:
Product Description
Catalog Number:
AG0069KS
Chemical Name:
4H-1-Benzopyran-4-one, 3-iodo-2-phenyl-
CAS Number:
98153-12-9
Molecular Formula:
C15H9IO2
Molecular Weight:
348.1352
IUPAC Name:
3-iodo-2-phenylchromen-4-one
InChI:
InChI=1S/C15H9IO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChI Key:
JHYPGUFREBHZIV-UHFFFAOYSA-N
SMILES:
O=c1c(I)c(oc2c1cccc2)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.965g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.139g/mol
Monoisotopic Mass:
347.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Synthesis, X-ray crystal structure and biological properties of acetylenic flavone derivatives. | Farmaco (Societa chimica italiana : 1989) 20030901 |
| Chalcones and flavonoids as anti-tuberculosis agents. | Bioorganic & medicinal chemistry 20020801 |
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