| CAS Number | 1648864-54-3 |
| Catalog Number | AG00PPUO(AGN-PC-3H4594) |
| Chemical Name | trans-2-(2-(Bromomethyl)-1,3-dioxan-5-yl)isoindoline-1,3-dione |
| IUPAC Name | 2-[2-(bromomethyl)-1,3-dioxan-5-yl]isoindole-1,3-dione |
| InChI | InChI=1S/C13H12BrNO4/c14-5-11-18-6-8(7-19-11)15-12(16)9-3-1-2-4-10(9)13(15)17/h1-4,8,11H,5-7H2 |
| InChI Key | URXDVHYKVNQHAH-UHFFFAOYSA-N |
| MDL Number | MFCD28506251 |
| Molecular Formula | C13H12BrNO4 |
| Molecular Weight | 326.1427 |
| SMILES | BrC[C@@H]1OC[C@H](CO1)N1C(C2=CC=CC=C2C1=O)=O |
| Synonyms | 2-(2-(bromomethyl)-1,3-dioxan-5-yl)isoindoline-1,3-dione,
1648866-28-7,
trans-2-(2-(bromomethyl)-1,3-dioxan-5-yl)isoindoline-1,3-dione,
1648864-54-3,
SCHEMBL16414795,
SCHEMBL16419565,
URXDVHYKVNQHAH-UHFFFAOYSA-N,
ZINC263624852,
ZINC307253182,
CS-W000301,
FCH4182823,
2-[(2r,5r)-2-(bromomethyl)-1,3-dioxan-5-yl]-2,3-dihydro-1H-isoindole-1,3-dione,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.146g/mol |
| Monoisotopic Mass | 324.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number