| CAS Number | 409060-44-2 |
| Catalog Number | AG00JS1M(AGN-PC-0NDSKO) |
| Chemical Name | 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one |
| IUPAC Name | 4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one |
| InChI | InChI=1S/C8H5FO/c9-6-2-1-5-3-8(10)7(5)4-6/h1-2,4H,3H2 |
| InChI Key | PILRCBSBYLVNMJ-UHFFFAOYSA-N |
| MDL Number | MFCD24709836 |
| Molecular Formula | C8H5FO |
| Molecular Weight | 136.1231 |
| SMILES | FC1=CC2=C(CC2=O)C=C1 |
| Synonyms | 409060-44-2,
4-Fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one,
5-Fluorobenzocyclobutene-1(2H)-one,
4-Fluoro-bicyclo[4.2.0]octa-1,3,5-trien-7-one,
CID10975535,
4-fluorobicyclo[4.2.0]octa-2,4,9-trien-7-one,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.125g/mol |
| Monoisotopic Mass | 136.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number