| CAS Number | 20434-22-4 |
| Catalog Number | AG0029GA(AGN-PC-00GJ17) |
| Chemical Name | 6-Bromohexan-3-one |
| IUPAC Name | 6-bromohexan-3-one |
| InChI | InChI=1S/C6H11BrO/c1-2-6(8)4-3-5-7/h2-5H2,1H3 |
| InChI Key | IKRZHUJVIDUZQY-UHFFFAOYSA-N |
| MDL Number | MFCD20621909 |
| Molecular Formula | C6H11BrO |
| Molecular Weight | 179.0549 |
| SMILES | CCC(CCCBr)=O |
| Synonyms | 6-bromohexan-3-one,
6-bromo-3-hexanone,
3-Hexanone, 6-bromo-,
20434-22-4,
1-bromo-4-hexanone,
SCHEMBL10952144,
CTK0J8909,
DTXSID90473067,
IKRZHUJVIDUZQY-UHFFFAOYSA-N,
ZINC36448237,
AKOS026744098,
NE16660,
CID11805318,
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| Complexity | 70.9 |
| 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 | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number