| CAS Number | 189618-32-4 |
| Catalog Number | AG002DSV(AGN-PC-04TL7B) |
| Chemical Name | 4-(4-Bromophenoxymethyl)piperidine |
| IUPAC Name | 4-[(4-bromophenoxy)methyl]piperidine |
| InChI | InChI=1S/C12H16BrNO/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2 |
| InChI Key | RGJFMUFGRNTWRU-UHFFFAOYSA-N |
| MDL Number | MFCD08687058 |
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 270.1655 |
| SMILES | Brc1ccc(cc1)OCC1CCNCC1 |
| Synonyms | 189618-32-4,
Piperidine, 4-[(4-bromophenoxy)methyl]-,
4-(4-BROMOPHENOXYMETHYL)PIPERIDINE,
4-[(4-Bromophenoxy)methyl]piperidine,
4-((4-bromophenoxy)methyl)piperidine,
SCHEMBL2460394,
CTK0A2801,
DTXSID60647910,
RGJFMUFGRNTWRU-UHFFFAOYSA-N,
ZINC14631458,
AKOS005263865,
4-{[(4-bromophenyl)oxy]methyl}piperidine,
4-(4-bromo-phenoxymethyl)-piperidine,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.17g/mol |
| Monoisotopic Mass | 269.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number