| CAS Number | 1281728-08-2 |
| Catalog Number | AG018RTP(AGN-PC-0WO2NS) |
| Chemical Name | 7-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| IUPAC Name | 7-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| InChI | InChI=1S/C9H10FNO/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11H,3-4,6H2 |
| InChI Key | MBGJLGVSYZIMCV-UHFFFAOYSA-N |
| MDL Number | MFCD16991116 |
| Molecular Formula | C9H10FNO |
| Molecular Weight | 167.1802 |
| SMILES | FC=1C=CC2=C(CNCCO2)C1 |
| Synonyms | 7-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine,
1281728-08-2,
SCHEMBL17927769,
ZINC49453804,
AKOS006336225,
MCULE-4087529843,
7-fluoro-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine,
F8880-4549,
Z1496496144,
|
| 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