| CAS Number | 1528991-21-0 |
| Catalog Number | AG01DVJS(AGN-PC-0WGGKO) |
| Chemical Name | 1-(4-iodophenyl)dihydropyrimidine-2,4(1H,3H)-dione |
| IUPAC Name | 1-(4-iodophenyl)-1,3-diazinane-2,4-dione |
| InChI | InChI=1S/C10H9IN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-4H,5-6H2,(H,12,14,15) |
| InChI Key | NMXLSPXXUCMDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD23768108 |
| Molecular Formula | C10H9IN2O2 |
| Molecular Weight | 316.0951 |
| SMILES | O=C1NC(CCN1C2=CC=C(I)C=C2)=O |
| Synonyms | 1-(4-iodophenyl)dihydropyrimidine-2,4(1H,3H)-dione,
1528991-21-0,
AKOS018334871,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.098g/mol |
| Monoisotopic Mass | 315.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number