| CAS Number | 203805-65-6 |
| Catalog Number | AG01DZ92(AGN-PC-0KKIY4) |
| Chemical Name | 5-Bromobicyclo[4.2.0]octa-1(6),2,4-trien-7-one |
| IUPAC Name | 5-bromobicyclo[4.2.0]octa-1(6),2,4-trien-7-one |
| InChI | InChI=1S/C8H5BrO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2 |
| InChI Key | WTLPMCZXBLMOJG-UHFFFAOYSA-N |
| MDL Number | MFCD01652385 |
| Molecular Formula | C8H5BrO |
| Molecular Weight | 197.0287 |
| SMILES | BrC1=C2C(CC2=O)=CC=C1 |
| Synonyms | 5-bromobicyclo[4.2.0]octa-1(6),2,4-trien-7-one,
203805-65-6,
AC1MBLUK,
ZINC3847843,
AKOS004907473,
ZINC03847843,
CID2752777,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.031g/mol |
| Monoisotopic Mass | 195.952g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number