| CAS Number | 1101023-98-6 |
| Catalog Number | AG01ABVE(AGN-PC-0WOCBB) |
| Chemical Name | 2-bromo-1-(oxolan-3-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(oxolan-3-yl)ethanone |
| InChI | InChI=1S/C6H9BrO2/c7-3-6(8)5-1-2-9-4-5/h5H,1-4H2 |
| InChI Key | AFYWQQAFNRKSGS-UHFFFAOYSA-N |
| MDL Number | MFCD23845094 |
| Molecular Formula | C6H9BrO2 |
| Molecular Weight | 193.0385 |
| SMILES | BrCC(C1COCC1)=O |
| Synonyms | 2-bromo-1-(oxolan-3-yl)ethan-1-one,
1101023-98-6,
2-Bromo-1-(tetrahydrofuran-3-yl)ethanone,
SCHEMBL15766735,
AKOS018709351,
NE20811,
FT-0769464,
Ethanone, 2-bromo-1-(tetrahydro-3-furanyl)-,
2-bromo-1-(tetrahydro-3-furanyl)Ethanone,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.04g/mol |
| Monoisotopic Mass | 191.979g/mol |
| Rotatable Bond Count | 2 |
| 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