| CAS Number | 885274-92-0 |
| Catalog Number | AG0046CH(AGN-PC-04PMXL) |
| Chemical Name | 1-(4-Bromobenzoyl)piperidin-4-one |
| IUPAC Name | 1-(4-bromobenzoyl)piperidin-4-one |
| InChI | InChI=1S/C12H12BrNO2/c13-10-3-1-9(2-4-10)12(16)14-7-5-11(15)6-8-14/h1-4H,5-8H2 |
| InChI Key | QYMXIDAINBPSHT-UHFFFAOYSA-N |
| MDL Number | MFCD04115035 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.1332 |
| SMILES | O=C1CCN(C(C2=CC=C(Br)C=C2)=O)CC1 |
| Synonyms | 1-(4-bromobenzoyl)piperidin-4-one,
885274-92-0,
1-(4-BROMO-BENZOYL)-PIPERIDIN-4-ONE,
CTK5G0423,
KS-00000JTN,
DTXSID30640892,
ZINC2527225,
9461AH,
MFCD04115035,
4-Piperidinone,1-(4-bromobenzoyl)-,
AKOS000186363,
CS-W020207,
DS-7852,
AJ-37893,
AK154050,
C12H12BrNO2,
1- -PIPERIDIN-4-ONE,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.137g/mol |
| Monoisotopic Mass | 281.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number