| CAS Number | 111511-51-4 |
| Catalog Number | AG01BRI2(AGN-PC-0NXOGZ) |
| Chemical Name | 4-(bromomethyl)oxan-4-ol |
| IUPAC Name | 4-(bromomethyl)oxan-4-ol |
| InChI | InChI=1S/C6H11BrO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-5H2 |
| InChI Key | AINJBBBJCHXEHA-UHFFFAOYSA-N |
| MDL Number | MFCD30246309 |
| Molecular Formula | C6H11BrO2 |
| Molecular Weight | 195.0543 |
| SMILES | BrCC1(CCOCC1)O |
| Synonyms | 4-(bromomethyl)oxan-4-ol,
111511-51-4,
ZINC158584069,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.056g/mol |
| Monoisotopic Mass | 193.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number