| CAS Number | 1461706-30-8 |
| Catalog Number | AG01AC01(AGN-PC-0WO66P) |
| Chemical Name | 2-bromo-1-(oxan-3-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(oxan-3-yl)ethanone |
| InChI | InChI=1S/C7H11BrO2/c8-4-7(9)6-2-1-3-10-5-6/h6H,1-5H2 |
| InChI Key | UTAFXIDNWNMWQF-UHFFFAOYSA-N |
| MDL Number | MFCD23844999 |
| Molecular Formula | C7H11BrO2 |
| Molecular Weight | 207.065 |
| SMILES | BrCC(C1COCCC1)=O |
| Synonyms | 2-bromo-1-(oxan-3-yl)ethan-1-one,
1461706-30-8,
AKOS018707365,
NE45127,
2-Bromo-1-(tetrahydro-pyran-3-yl)-ethanone,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.99424g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.06g/mol |
| Monoisotopic Mass | 205.99424g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number