| CAS Number | 1345471-85-3 |
| Catalog Number | AG009WLS(AGN-PC-0WAA0V) |
| Chemical Name | 1-[(5-Bromo-2-fluorophenyl)methyl]piperidine |
| IUPAC Name | 1-[(5-bromo-2-fluorophenyl)methyl]piperidine |
| InChI | InChI=1S/C12H15BrFN/c13-11-4-5-12(14)10(8-11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2 |
| InChI Key | QCKWVLNNGROPHH-UHFFFAOYSA-N |
| MDL Number | MFCD20441944 |
| Molecular Formula | C12H15BrFN |
| Molecular Weight | 272.1566 |
| SMILES | c1(c(ccc(c1)Br)F)CN1CCCCC1 |
| Synonyms | 4-Bromo-1-fluoro-2-(piperidinomethyl)benzene,
1345471-85-3,
1-[(5-bromo-2-fluorophenyl)methyl]piperidine,
ACMC-209bvo,
CTK8B0247,
DTXSID30718449,
ANW-19666,
MFCD20441944,
ZINC65208213,
AKOS017451867,
TC-108411,
Z0116,
Q-8536,
C12H15BrFN,
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| 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
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Certificate of Analysis
Lot Number