| CAS Number | 86927-03-9 |
| Catalog Number | AG01A2ZU(AGN-PC-00KJ6I) |
| Chemical Name | 2-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 2-[2-(2-bromoethoxy)ethyl]isoindole-1,3-dione |
| InChI | InChI=1S/C12H12BrNO3/c13-5-7-17-8-6-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2 |
| InChI Key | GGPKLSIJFKJZJN-UHFFFAOYSA-N |
| MDL Number | MFCD20484990 |
| Molecular Formula | C12H12BrNO3 |
| Molecular Weight | 298.1326 |
| SMILES | BrCCOCCN1C(=O)C2=C(C=CC=C2)C1=O |
| Synonyms | 86927-03-9,
2-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione,
2-[2-(2-Bromoethoxy)ethyl]isoindole-1,3-dione,
SCHEMBL1463964,
GGPKLSIJFKJZJN-UHFFFAOYSA-N,
N-(2-bromoethoxyethyl)-phthalimide,
N-[2-(2-Bromoethoxy)ethyl]phthalimide,
N-[2-[2-(bromo)ethyloxy]ethyl]phthalimide,
2-[2-(2-bromo-ethoxy)-ethyl]isoindole-1,3-dione,
2-[2-(2-bromo-ethoxy)-ethyl]-isoindole-1,3-dione,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.136g/mol |
| Monoisotopic Mass | 297g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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