| CAS Number | 145348-28-3 |
| Catalog Number | AG01APG8(AGN-PC-0ET03F) |
| Chemical Name | 6,8-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one |
| IUPAC Name | 6,8-difluoro-3,4-dihydro-2H-1-benzoxepin-5-one |
| InChI | InChI=1S/C10H8F2O2/c11-6-4-7(12)10-8(13)2-1-3-14-9(10)5-6/h4-5H,1-3H2 |
| InChI Key | CIIKURZNKXRZJL-UHFFFAOYSA-N |
| MDL Number | MFCD17216140 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | FC1=CC2=C(C(CCCO2)=O)C(F)=C1 |
| Synonyms | 6,8-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-one,
145348-28-3,
ZINC54931942,
AKOS012079199,
Z2235330299,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.169g/mol |
| Monoisotopic Mass | 198.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number