| CAS Number | 55974-69-1 |
| Catalog Number | AG00J2NW(AGN-PC-0NF9M2) |
| Chemical Name | 3-Bromotetrahydro-2H-pyran-2-one, tech grade |
| IUPAC Name | 3-bromooxan-2-one |
| InChI | InChI=1S/C5H7BrO2/c6-4-2-1-3-8-5(4)7/h4H,1-3H2 |
| InChI Key | OFGZDTPHFDBLGJ-UHFFFAOYSA-N |
| MDL Number | MFCD13659268 |
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 179.0119 |
| SMILES | BrC1C(=O)OCCC1 |
| Synonyms | 3-bromotetrahydro-2H-pyran-2-one,
55974-69-1,
3-bromooxan-2-one,
alpha-bromo-delta-valerolactone,
SCHEMBL1400583,
OFGZDTPHFDBLGJ-UHFFFAOYSA-N,
ALBB-030719,
MFCD13659268,
AKOS026700090,
FCH1186555,
AX8329548,
AK00741899,
F1905-0520,
CID11062972,
(2-Bromo-5-methylpyridin-4-yl)boronic acid,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.013g/mol |
| Monoisotopic Mass | 177.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number