| CAS Number | 1803593-95-4 |
| Catalog Number | AG01B8W5 |
| Chemical Name | 5-bromo-6-nitro-2,3-dihydro-1H-isoindol-1-one |
| IUPAC Name | 5-bromo-6-nitro-2,3-dihydroisoindol-1-one |
| InChI | InChI=1S/C8H5BrN2O3/c9-6-1-4-3-10-8(12)5(4)2-7(6)11(13)14/h1-2H,3H2,(H,10,12) |
| InChI Key | NSZNCBCSKKEKTI-UHFFFAOYSA-N |
| MDL Number | MFCD28397382 |
| Molecular Formula | C8H5BrN2O3 |
| Molecular Weight | 257.0409 |
| SMILES | [O-][N+](C1=C(Br)C=C2C(C(NC2)=O)=C1)=O |
| Synonyms | 5-bromo-6-nitro-2,3-dihydro-1H-isoindol-1-one,
1803593-95-4,
ZINC238854451,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.043g/mol |
| Monoisotopic Mass | 255.948g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number