| CAS Number | 1016770-11-8 |
| Catalog Number | AG01A4AO(AGN-PC-0WOAZP) |
| Chemical Name | 1-[(2-Bromophenyl)methyl]piperidin-4-one |
| IUPAC Name | 1-[(2-bromophenyl)methyl]piperidin-4-one |
| InChI | InChI=1S/C12H14BrNO/c13-12-4-2-1-3-10(12)9-14-7-5-11(15)6-8-14/h1-4H,5-9H2 |
| InChI Key | REJYKLLPTNVXPI-UHFFFAOYSA-N |
| MDL Number | MFCD09933043 |
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 268.1497 |
| SMILES | BrC1=C(CN2CCC(=O)CC2)C=CC=C1 |
| Synonyms | 1-[(2-bromophenyl)methyl]piperidin-4-one,
1016770-11-8,
1-(2-BROMO-BENZYL)-PIPERIDIN-4-ONE,
SCHEMBL1497101,
REJYKLLPTNVXPI-UHFFFAOYSA-N,
ZINC87555569,
AKOS000174057,
AB55236,
MCULE-3009819246,
NE20606,
4-Piperidinone,1-[(2-bromophenyl)methyl]-,
4-Piperidinone, 1-[(2-bromophenyl)methyl]-,
Z55000709,
1-(2-bromobenzyl)piperidin-4-one,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.154g/mol |
| Monoisotopic Mass | 267.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number