| CAS Number | 844648-13-1 |
| Catalog Number | AG01BXUB |
| Chemical Name | 8-Fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| IUPAC Name | 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| InChI | InChI=1S/C9H10FNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2 |
| InChI Key | MCVXZLUQBPRIOC-UHFFFAOYSA-N |
| MDL Number | MFCD20682748 |
| Molecular Formula | C9H10FNO |
| Molecular Weight | 167.1802 |
| SMILES | FC1=CC2=C(CNCCO2)C=C1 |
| Synonyms | 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine,
844648-13-1,
SCHEMBL1886713,
MCVXZLUQBPRIOC-UHFFFAOYSA-N,
AKOS023557779,
ZINC107121128,
8-Fluoro-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine,
8-fluoro-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.183g/mol |
| Monoisotopic Mass | 167.075g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number