| CAS Number | 33282-42-7 |
| Catalog Number | AG01B5BD(AGN-PC-006I96) |
| Chemical Name | 4-(Bromomethyl)oxetan-2-one |
| IUPAC Name | 4-(bromomethyl)oxetan-2-one |
| InChI | InChI=1S/C4H5BrO2/c5-2-3-1-4(6)7-3/h3H,1-2H2 |
| InChI Key | UEEVWTVEQBJECL-UHFFFAOYSA-N |
| MDL Number | MFCD20622145 |
| Molecular Formula | C4H5BrO2 |
| Molecular Weight | 164.9853 |
| SMILES | BrCC1CC(O1)=O |
| Synonyms | 4-(bromomethyl)oxetan-2-one,
33282-42-7,
SCHEMBL372268,
CID11309714,
|
| Complexity | 91.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.986g/mol |
| Monoisotopic Mass | 163.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number