| CAS Number | 916031-18-0 |
| Catalog Number | AG00IGS8 |
| Chemical Name | 1-[(2,3-Dichlorophenyl)carbonyl]piperidine |
| IUPAC Name | (2,3-dichlorophenyl)-piperidin-1-ylmethanone |
| InChI | InChI=1S/C12H13Cl2NO/c13-10-6-4-5-9(11(10)14)12(16)15-7-2-1-3-8-15/h4-6H,1-3,7-8H2 |
| InChI Key | UJGRQQZTZHREML-UHFFFAOYSA-N |
| MDL Number | MFCD08724951 |
| Molecular Formula | C12H13Cl2NO |
| Molecular Weight | 258.1437 |
| SMILES | O=C(c1cccc(c1Cl)Cl)N1CCCCC1 |
| Synonyms | 1-[(2,3-Dichlorophenyl)carbonyl]piperidine,
916031-18-0,
1-(2,3-dichlorobenzoyl)piperidine,
2,3-dichlorophenyl piperidyl ketone,
STK484609,
ZINC13326123,
AKOS003397277,
MCULE-2500898512,
ST50862368,
(2,3-dichlorophenyl)(piperidin-1-yl)methanone,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.142g/mol |
| Monoisotopic Mass | 257.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number