| CAS Number | 1824463-97-9 |
| Catalog Number | AG01EHP9(AGN-PC-0WOB5O) |
| Chemical Name | 5-(Bromomethyl)-1-methyl-2-piperidinone |
| IUPAC Name | 5-(bromomethyl)-1-methylpiperidin-2-one |
| InChI | InChI=1S/C7H12BrNO/c1-9-5-6(4-8)2-3-7(9)10/h6H,2-5H2,1H3 |
| InChI Key | DBCUOYZOPYEUCP-UHFFFAOYSA-N |
| MDL Number | MFCD22396872 |
| Molecular Formula | C7H12BrNO |
| Molecular Weight | 206.0803 |
| SMILES | O=C1N(C)CC(CBr)CC1 |
| Synonyms | 5-(Bromomethyl)-1-methyl-2-piperidinone,
1824463-97-9,
ALBB-031870,
MFCD22396872,
AKOS026729666,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.083g/mol |
| Monoisotopic Mass | 205.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^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