| CAS Number | 1909313-27-4 |
| Catalog Number | AG01B2GD |
| Chemical Name | 6-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride |
| IUPAC Name | 6-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride |
| InChI | InChI=1S/C9H10BrNO.ClH/c10-8-2-1-3-9-7(8)6-11-4-5-12-9;/h1-3,11H,4-6H2;1H |
| InChI Key | VOMDDSGDRICRGJ-UHFFFAOYSA-N |
| MDL Number | MFCD29907413 |
| Molecular Formula | C9H11BrClNO |
| Molecular Weight | 264.5467 |
| SMILES | Cl.BrC1=C2C(OCCNC2)=CC=C1 |
| Synonyms | 6-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride,
1909313-27-4,
Z2492799761,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.547g/mol |
| Monoisotopic Mass | 262.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number