| CAS Number | 1403483-71-5 |
| Catalog Number | AG009X3I(AGN-PC-0WA991) |
| Chemical Name | 4-(4-Bromo-2-methoxyphenoxy)-1-methylpiperidine |
| IUPAC Name | 4-(4-bromo-2-methoxyphenoxy)-1-methylpiperidine |
| InChI | InChI=1S/C13H18BrNO2/c1-15-7-5-11(6-8-15)17-12-4-3-10(14)9-13(12)16-2/h3-4,9,11H,5-8H2,1-2H3 |
| InChI Key | KONHGQVAQYSRIA-UHFFFAOYSA-N |
| MDL Number | MFCD22549306 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | COc1cc(Br)ccc1OC1CCN(CC1)C |
| Synonyms | 4-(4-bromo-2-methoxyphenoxy)-1-methylpiperidine,
1403483-71-5,
SCHEMBL14862794,
KONHGQVAQYSRIA-UHFFFAOYSA-N,
ZINC95217825,
AKOS026673277,
V3067,
C13H18BrNO2,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number