| CAS Number | 1346562-84-2 |
| Catalog Number | AG01ALLI |
| Chemical Name | 5-(Bromomethyl)-5-methyl-1,3-dioxan-2-one |
| IUPAC Name | 5-(bromomethyl)-5-methyl-1,3-dioxan-2-one |
| InChI | InChI=1S/C6H9BrO3/c1-6(2-7)3-9-5(8)10-4-6/h2-4H2,1H3 |
| InChI Key | NXPZBWYAWXVJNT-UHFFFAOYSA-N |
| MDL Number | MFCD24465441 |
| Molecular Formula | C6H9BrO3 |
| Molecular Weight | 209.0379 |
| SMILES | CC1(COC(=O)OC1)CBr |
| Synonyms | 5-(bromomethyl)-5-methyl-1,3-dioxan-2-one,
1346562-84-2,
ZINC238253374,
2-bromomethyl-2-methyltrimethylene carbonate,
5-(Bromomethyl)-5-methyl-1,3-dioxane-2-one,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.039g/mol |
| Monoisotopic Mass | 207.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number