| CAS Number | 21619-25-0 |
| Catalog Number | AG0033YM(AGN-PC-0WAFOF) |
| Chemical Name | 4-Bromopentane-2,3-dione |
| IUPAC Name | 4-bromopentane-2,3-dione |
| InChI | InChI=1S/C5H7BrO2/c1-3(6)5(8)4(2)7/h3H,1-2H3 |
| InChI Key | VHBQPPMMBOGTCI-UHFFFAOYSA-N |
| MDL Number | MFCD20624895 |
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 179.0119 |
| SMILES | CC(C(C(C)=O)=O)Br |
| Synonyms | 4-bromopentane-2,3-dione,
4-bromo-pentane-2,3-dione,
21619-25-0,
MFCD20624895,
4-Bromo-2,3-pentanedione,
SCHEMBL10309428,
VHBQPPMMBOGTCI-UHFFFAOYSA-N,
KS-000001WC,
AKOS025148626,
1-2 weeks,
|
| Complexity | 120 |
| 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 | 2 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number