| CAS Number | 886756-67-8 |
| Catalog Number | AG003AEW(AGN-PC-0OLUVT) |
| Chemical Name | 7-Bromo-1,5-dihydro-4,1-benzoxazepin-2(3H)-one |
| IUPAC Name | 7-bromo-1,5-dihydro-4,1-benzoxazepin-2-one |
| InChI | InChI=1S/C9H8BrNO2/c10-7-1-2-8-6(3-7)4-13-5-9(12)11-8/h1-3H,4-5H2,(H,11,12) |
| InChI Key | WSNHVMZMIOFLKS-UHFFFAOYSA-N |
| MDL Number | MFCD11100979 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | BrC=1C=CC2=C(COCC(N2)=O)C1 |
| Synonyms | 886756-67-8,
7-Bromo-1,5-dihydro-4,1-benzoxazepin-2(3H)-one,
4,1-Benzoxazepin-2(3H)-one, 7-bromo-1,5-dihydro-,
AKOS023808247,
W-4329,
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| 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 | 1.2 |
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Certificate of Analysis
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