| CAS Number | 1335523-82-4 |
| Catalog Number | AG00A1IT |
| Chemical Name | (S)-3-(4-Bromophenyl)piperidine |
| IUPAC Name | (3S)-3-(4-bromophenyl)piperidine |
| InChI | InChI=1S/C11H14BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1 |
| InChI Key | SZTZMTODFHPUHI-SNVBAGLBSA-N |
| MDL Number | MFCD20451701 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | BrC1=CC=C([C@H]2CNCCC2)C=C1 |
| Synonyms | (S)-3-(4-Bromophenyl)piperidine,
1335523-82-4,
(3S)-3-(4-bromophenyl)piperidine,
SCHEMBL15777910,
MFCD20451701,
ZINC49830018,
SB16771,
AJ-111477,
CS-0059682,
FT-0699695,
Piperidine, 3-(4-bromophenyl)-,(3S),
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^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