| CAS Number | 2090976-29-5 |
| Catalog Number | AG01DW6N |
| Chemical Name | 5-tert-butyl-2-chloropyridine-3-carbonitrile |
| IUPAC Name | 5-tert-butyl-2-chloropyridine-3-carbonitrile |
| InChI | InChI=1S/C10H11ClN2/c1-10(2,3)8-4-7(5-12)9(11)13-6-8/h4,6H,1-3H3 |
| InChI Key | BAVMJCPUYDCCBK-UHFFFAOYSA-N |
| MDL Number | MFCD31665799 |
| Molecular Formula | C10H11ClN2 |
| Molecular Weight | 194.6607 |
| SMILES | CC(C1=CC(C#N)=C(Cl)N=C1)(C)C |
| Synonyms | 5-tert-butyl-2-chloropyridine-3-carbonitrile,
2090976-29-5,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.662g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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