| CAS Number | 1279822-61-5 |
| Catalog Number | AG01EHD4 |
| Chemical Name | 6-bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepine |
| IUPAC Name | 6-bromo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI | InChI=1S/C9H9BrO2/c10-7-3-1-4-8-9(7)12-6-2-5-11-8/h1,3-4H,2,5-6H2 |
| InChI Key | OWYMCSQGVYEEKF-UHFFFAOYSA-N |
| MDL Number | MFCD31653797 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | c12c(cccc1Br)OCCCO2 |
| Synonyms | 6-Bromo-3,4-dihydro-2H-1,5-benzodioxepine,
1279822-61-5,
AKOS024098403,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number