| CAS Number | 1547037-42-2 |
| Catalog Number | AG01B8LX |
| Chemical Name | 6-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| IUPAC Name | 6-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| InChI | InChI=1S/C9H10FNO/c10-8-2-1-3-9-7(8)6-11-4-5-12-9/h1-3,11H,4-6H2 |
| InChI Key | KCQUZQKHNJYTTE-UHFFFAOYSA-N |
| MDL Number | MFCD26722696 |
| Molecular Formula | C9H10FNO |
| Molecular Weight | 167.1802 |
| SMILES | FC1=C2C(OCCNC2)=CC=C1 |
| Synonyms | 6-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine,
1547037-42-2,
SCHEMBL20565628,
ZINC107121131,
6-Fluoro-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine,
Z2004548224,
|
| 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