| CAS Number | 916971-29-4 |
| Catalog Number | AG00H0SB(AGN-PC-014ZXY) |
| Chemical Name | 4-(2-Bromophenoxy)piperidine |
| IUPAC Name | 4-(2-bromophenoxy)piperidine |
| InChI | InChI=1S/C11H14BrNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2 |
| InChI Key | UIMMTLBEKPSEGH-UHFFFAOYSA-N |
| MDL Number | MFCD09861866 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.1390 |
| SMILES | BrC1=C(OC2CCNCC2)C=CC=C1 |
| Synonyms | 4-(2-bromophenoxy)piperidine,
916971-29-4,
SCHEMBL82594,
DTXSID00587442,
UIMMTLBEKPSEGH-UHFFFAOYSA-N,
Piperidine, 4-(2-bromophenoxy)-,
ZINC20399675,
AKOS010951415,
AJ-77386,
DB-079152,
FT-0768872,
4-(2-bromo-phenoxy)-piperidine,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.143g/mol |
| Monoisotopic Mass | 255.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number