| CAS Number | 1033201-74-9 |
| Catalog Number | AG003CW7(AGN-PC-0WNOEU) |
| Chemical Name | 1-(3-Bromo-4-fluorobenzoyl)piperidine |
| IUPAC Name | (3-bromo-4-fluorophenyl)-piperidin-1-ylmethanone |
| InChI | InChI=1S/C12H13BrFNO/c13-10-8-9(4-5-11(10)14)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2 |
| InChI Key | KSZCKRNQTNJPGR-UHFFFAOYSA-N |
| MDL Number | MFCD10699648 |
| Molecular Formula | C12H13BrFNO |
| Molecular Weight | 286.1401 |
| SMILES | O=C(c1ccc(c(c1)Br)F)N1CCCCC1 |
| Synonyms | 1-(3-BROMO-4-FLUOROBENZOYL)PIPERIDINE,
1033201-74-9,
CTK4A1954,
DTXSID10674493,
ANW-14849,
MFCD10699648,
ZINC38537040,
AKOS015834305,
RTR-000759,
TR-000759,
A-4245,
(3-Bromo-4-fluorophenyl)(piperidin-1-yl)methanone,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.144g/mol |
| Monoisotopic Mass | 285.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number