| CAS Number | 1427404-26-9 |
| Catalog Number | AG01C7MA |
| Chemical Name | 4-Bromo-7-chloroisoindolin-1-one |
| IUPAC Name | 4-bromo-7-chloro-2,3-dihydroisoindol-1-one |
| InChI | InChI=1S/C8H5BrClNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12) |
| InChI Key | PSPOVIJWZMWMLT-UHFFFAOYSA-N |
| MDL Number | MFCD23707988 |
| Molecular Formula | C8H5BrClNO |
| Molecular Weight | 246.4884 |
| SMILES | BrC1=C2CNC(C2=C(C=C1)Cl)=O |
| Synonyms | 4-bromo-7-chloroisoindolin-1-one,
1427404-26-9,
N/A,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.488g/mol |
| Monoisotopic Mass | 244.924g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number