| CAS Number | 1499640-27-5 |
| Catalog Number | AG01BHCK(AGN-PC-0WOTUO) |
| Chemical Name | 1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}-2-bromoethan-1-one |
| IUPAC Name | 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-bromoethanone |
| InChI | InChI=1S/C10H9BrO/c11-6-10(12)9-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2 |
| InChI Key | KBVDAYGTADMCGK-UHFFFAOYSA-N |
| MDL Number | MFCD23845004 |
| Molecular Formula | C10H9BrO |
| Molecular Weight | 225.0819 |
| SMILES | BrCC(C1C2=C(C=CC=C2)C1)=O |
| Synonyms | 1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}-2-bromoethan-1-one,
1499640-27-5,
AKOS018707885,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.085g/mol |
| Monoisotopic Mass | 223.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number