| CAS Number | 1200131-18-5 |
| Catalog Number | AG000Q37(AGN-PC-0WAA2J) |
| Chemical Name | 4-Bromo-2-fluorophenyl-1-(piperidinomethyl)benzen |
| IUPAC Name | 1-[(4-bromo-2-fluorophenyl)methyl]piperidine |
| InChI | InChI=1S/C12H15BrFN/c13-11-5-4-10(12(14)8-11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2 |
| InChI Key | VMTBRQBFFSSMLS-UHFFFAOYSA-N |
| MDL Number | MFCD14645209 |
| Molecular Formula | C12H15BrFN |
| Molecular Weight | 272.1566 |
| SMILES | Brc1ccc(c(c1)F)CN1CCCCC1 |
| Synonyms | 1-(4-bromo-2-fluorobenzyl)piperidine,
1200131-18-5,
SCHEMBL1427498,
VMTBRQBFFSSMLS-UHFFFAOYSA-N,
MFCD14645209,
ZINC42211164,
AKOS009027465,
1-(4-Bromo-2-fluorobenzyl)-piperidine,
BP-20164,
AJ-104193,
ST24037311,
B-6614,
Piperidine, 1-[(4-bromo-2-fluorophenyl)methyl]-,
4-Bromo-2-fluorophenyl-1-(piperidinomethyl)benzene,
4-Bromo-2-fluorophenyl-1-(piperidinomethyl)benzen,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.161g/mol |
| Monoisotopic Mass | 271.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number