| CAS Number | 79932-23-3 |
| Catalog Number | AG01C23Y(AGN-PC-0D746L) |
| Chemical Name | 1-bromo-3-methylpentan-2-one |
| IUPAC Name | 1-bromo-3-methylpentan-2-one |
| InChI | InChI=1S/C6H11BrO/c1-3-5(2)6(8)4-7/h5H,3-4H2,1-2H3 |
| InChI Key | PNYNRQLIDYPZBP-UHFFFAOYSA-N |
| MDL Number | MFCD20622193 |
| Molecular Formula | C6H11BrO |
| Molecular Weight | 179.0549 |
| SMILES | CCC(C(CBr)=O)C |
| Synonyms | 1-bromo-3-methylpentan-2-one,
79932-23-3,
SCHEMBL8407864,
AKOS017529194,
|
| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.057g/mol |
| Monoisotopic Mass | 177.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number