| CAS Number | 31100-39-7 |
| Catalog Number | AG01A63Y(AGN-PC-0NKHZL) |
| Chemical Name | 4-(bromomethyl)-1,3-dioxane |
| IUPAC Name | 4-(bromomethyl)-1,3-dioxane |
| InChI | InChI=1S/C5H9BrO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2 |
| InChI Key | DRYWJFPCWJYCEW-UHFFFAOYSA-N |
| MDL Number | MFCD20623559 |
| Molecular Formula | C5H9BrO2 |
| Molecular Weight | 181.0278 |
| SMILES | BrCC1OCOCC1 |
| Synonyms | 4-(bromomethyl)-1,3-dioxane,
31100-39-7,
1,3-Dioxane, 4-(bromomethyl)-,
SCHEMBL10920802,
AKOS026728213,
NE54710,
|
| Complexity | 67.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.029g/mol |
| Monoisotopic Mass | 179.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number