| CAS Number | 1344687-91-7 |
| Catalog Number | AG01EHDB |
| Chemical Name | 2-Benzyl-6-bromo-3H-isoindol-1-one |
| IUPAC Name | 2-benzyl-6-bromo-3H-isoindol-1-one |
| InChI | InChI=1S/C15H12BrNO/c16-13-7-6-12-10-17(15(18)14(12)8-13)9-11-4-2-1-3-5-11/h1-8H,9-10H2 |
| InChI Key | BVFXSYIMFMLRBM-UHFFFAOYSA-N |
| MDL Number | MFCD20441055 |
| Molecular Formula | C15H12BrNO |
| Molecular Weight | 302.1659 |
| SMILES | Brc1ccc2c(c1)C(=O)N(C2)Cc1ccccc1 |
| Synonyms | 2-Benzyl-6-bromoisoindolin-1-one,
1344687-91-7,
A1-01628,
2-Benzyl-6-bromo-2,3-dihydro-isoindol-1-one,
SCHEMBL20028546,
ZINC72209241,
AKOS027450579,
FCH2847288,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.171g/mol |
| Monoisotopic Mass | 301.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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