| CAS Number | 35750-03-9 |
| Catalog Number | AG01A0VX |
| Chemical Name | 2-(3-Iodo-2-oxopropyl)isoindoline-1,3-dione |
| IUPAC Name | 2-(3-iodo-2-oxopropyl)isoindole-1,3-dione |
| InChI | InChI=1S/C11H8INO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2 |
| InChI Key | CKNVDEBXZYTHKY-UHFFFAOYSA-N |
| MDL Number | MFCD21647428 |
| Molecular Formula | C11H8INO3 |
| Molecular Weight | 329.0906 |
| SMILES | ICC(CN1C(=O)C2=C(C=CC=C2)C1=O)=O |
| Synonyms | 35750-03-9,
2-(3-iodo-2-oxopropyl)-2,3-dihydro-1H-isoindole-1,3-dione,
2-(3-Iodo-2-oxopropyl)isoindoline-1,3-dione,
2-(3-iodo-2-oxopropyl)-1H-isoindole-1,3(2H)-dione,
ZINC78210793,
AKOS027323000,
NE60698,
2-(2-Oxo-3-iodopropyl)isoindoline-1,3-dione,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.093g/mol |
| Monoisotopic Mass | 328.955g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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