| CAS Number | 383128-62-9 |
| Catalog Number | AG00I7K4(AGN-PC-0WOI7X) |
| Chemical Name | 2-(5-Bromo-2-methoxyphenyl)piperidine |
| IUPAC Name | 2-(5-bromo-2-methoxyphenyl)piperidine |
| InChI | InChI=1S/C12H16BrNO/c1-15-12-6-5-9(13)8-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3 |
| InChI Key | BJLLFGJZHAQELM-UHFFFAOYSA-N |
| MDL Number | MFCD02663655 |
| Molecular Formula | C12H16BrNO |
| Molecular Weight | 270.1655 |
| SMILES | COC1=C(C2NCCCC2)C=C(Br)C=C1 |
| Synonyms | 2-(5-bromo-2-methoxyphenyl)piperidine,
383128-62-9,
AC1MSE0O,
ZX-BK000738,
BBL020749,
MFCD02663655,
STK893439,
AKOS001476375,
MCULE-1623040611,
C6A-0101,
H8946,
CID3582863,
2-(5-bromo-2-methoxy-phenyl)piperidine,
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| Complexity | 200 |
| 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 | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number