| CAS Number | 1188141-94-7 |
| Catalog Number | AG01C1OD |
| Chemical Name | 2,6-dibromo-2,3-dihydro-1H-inden-1-one |
| IUPAC Name | 2,6-dibromo-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C9H6Br2O/c10-6-2-1-5-3-8(11)9(12)7(5)4-6/h1-2,4,8H,3H2 |
| InChI Key | KZYIZXUHEKUDQW-UHFFFAOYSA-N |
| MDL Number | MFCD11219379 |
| Molecular Formula | C9H6Br2O |
| Molecular Weight | 289.9513 |
| SMILES | BrC1C(=O)C2=C(C=CC(=C2)Br)C1 |
| Synonyms | 2,6-dibromo-2,3-dihydro-1H-inden-1-one,
1188141-94-7,
SCHEMBL17675410,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.954g/mol |
| Monoisotopic Mass | 287.879g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number