| CAS Number | 1396777-41-5 |
| Catalog Number | AG01C73H |
| Chemical Name | 8-Bromo-3,4-Dihydrobenzo[F][1,4]Oxazepin-5(2H)-One |
| IUPAC Name | 8-bromo-3,4-dihydro-2H-1,4-benzoxazepin-5-one |
| InChI | InChI=1S/C9H8BrNO2/c10-6-1-2-7-8(5-6)13-4-3-11-9(7)12/h1-2,5H,3-4H2,(H,11,12) |
| InChI Key | OQXPXEVRPQEGOM-UHFFFAOYSA-N |
| MDL Number | MFCD26900579 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | O=C1NCCOC2=CC(Br)=CC=C12 |
| Synonyms | 1396777-41-5,
8-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one,
8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one,
1,4-Benzoxazepin-5(2H)-one, 8-bromo-3,4-dihydro-,
SCHEMBL12078170,
OQXPXEVRPQEGOM-UHFFFAOYSA-N,
AKOS023599023,
ZINC107253966,
2,3-Dihydro-8-bromo-1,4-benzoxazepin-5(4H)-one,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number