| CAS Number | 1157179-07-1 |
| Catalog Number | AG019ZJL(AGN-PC-0WO8KM) |
| Chemical Name | 8-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol |
| IUPAC Name | 8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol |
| InChI | InChI=1S/C10H11BrO2/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6,9,12H,1-2,5H2 |
| InChI Key | AKQLFBDVHAOWOY-UHFFFAOYSA-N |
| MDL Number | MFCD12047716 |
| Molecular Formula | C10H11BrO2 |
| Molecular Weight | 243.0971 |
| SMILES | OC1C2=C(C=C(C=C2)Br)OCCC1 |
| Synonyms | 8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol,
1157179-07-1,
AKOS009940317,
MCULE-3480093315,
NE31265,
Z1407004179,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number