| CAS Number | 1090783-85-9 |
| Catalog Number | AG00IMPN |
| Chemical Name | Piperidine, 1-(2-chloro-6-nitrophenyl)-4-methyl- |
| IUPAC Name | 1-(2-chloro-6-nitrophenyl)-4-methylpiperidine |
| InChI | InChI=1S/C12H15ClN2O2/c1-9-5-7-14(8-6-9)12-10(13)3-2-4-11(12)15(16)17/h2-4,9H,5-8H2,1H3 |
| InChI Key | RKLQJMZOJIPGMX-UHFFFAOYSA-N |
| MDL Number | MFCD11765018 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | ClC1=C(C(=CC=C1)[N+](=O)[O-])N1CCC(CC1)C |
| Synonyms | 1090783-85-9,
ZINC32806167,
AKOS005147716,
MCULE-8500292284,
1-(2-chloro-6-nitrophenyl)-4-methylpiperidine,
Piperidine, 1-(2-chloro-6-nitrophenyl)-4-methyl-,
Z126933954,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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