| CAS Number | 122775-34-2 |
| Catalog Number | AG009IIH(AGN-PC-0NCINW) |
| Chemical Name | 3-Iodo-4H-chromen-4-one |
| IUPAC Name | 3-iodochromen-4-one |
| InChI | InChI=1S/C9H5IO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H |
| InChI Key | SZDBDDKQJHHRGH-UHFFFAOYSA-N |
| MDL Number | MFCD09475514 |
| Molecular Formula | C9H5IO2 |
| Molecular Weight | 272.0393 |
| SMILES | IC1C(=O)C2=C(C=CC=C2)OC=1 |
| Synonyms | 3-Iodo-4H-chromen-4-one,
3-Iodochromone,
122775-34-2,
MFCD09475514,
3-IodochroMone, 97%,
C9H5IO2,
3-Iodo-4H-benzopyran-4-one,
SCHEMBL2428944,
DTXSID30447787,
SZDBDDKQJHHRGH-UHFFFAOYSA-N,
5346AH,
ZINC15442833,
3-iodochromen-4-one,
CID10901720,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.041g/mol |
| Monoisotopic Mass | 271.933g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number