| CAS Number | 1016769-81-5 |
| Catalog Number | AG00055W(AGN-PC-0WP1OW) |
| Chemical Name | 4-Piperidinone, 1-(3-bromophenyl)- |
| IUPAC Name | 1-(3-bromophenyl)piperidin-4-one |
| InChI | InChI=1S/C11H12BrNO/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8H,4-7H2 |
| InChI Key | QRHASCGAIQGKHB-UHFFFAOYSA-N |
| MDL Number | MFCD09933024 |
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 254.1231 |
| SMILES | O=C1CCN(C2=CC=CC(Br)=C2)CC1 |
| Synonyms | 1-(3-BROMOPHENYL)PIPERIDIN-4-ONE,
1016769-81-5,
1-(3-bromophenyl)-4-Piperidinone,
SCHEMBL3748579,
CTK4A0092,
DTXSID40640782,
QRHASCGAIQGKHB-UHFFFAOYSA-N,
ZINC19436681,
4-Piperidinone, 1-(3-bromophenyl)-,
AKOS000174351,
DB-058639,
FT-0737369,
1-(3-bromophenyl)piperidin-4-one, AldrichCPR,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.127g/mol |
| Monoisotopic Mass | 253.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number