| CAS Number | 1261999-53-4 |
| Catalog Number | AG009Z9D(AGN-PC-0WB84V) |
| Chemical Name | 7-BRoMo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol |
| IUPAC Name | 7-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol |
| InChI | InChI=1S/C10H11BrO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6,9,12H,1-2,5H2 |
| InChI Key | QGEPJFQBBYSBQE-UHFFFAOYSA-N |
| MDL Number | MFCD18373967 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | BrC=1C=CC2=C(C(CCCO2)O)C1 |
| Synonyms | 1261999-53-4,
7-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol,
SCHEMBL2114929,
DTXSID80599785,
QGEPJFQBBYSBQE-UHFFFAOYSA-N,
MFCD18373967,
AKOS015061794,
7-Bromo-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin,
7-Bromo-2,3,4,5-tetrahydrobenzo[b]oxepin-5-ol,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.1g/mol |
| Monoisotopic Mass | 241.994g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number