| CAS Number | 1784306-92-8 |
| Catalog Number | AG01DYXU |
| Chemical Name | 5-tert-butyl-2-chloropyridine-3-carboxylic acid |
| IUPAC Name | 5-tert-butyl-2-chloropyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H12ClNO2/c1-10(2,3)6-4-7(9(13)14)8(11)12-5-6/h4-5H,1-3H3,(H,13,14) |
| InChI Key | DNKUBVCBUCQSMY-UHFFFAOYSA-N |
| MDL Number | MFCD31615885 |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.6608 |
| SMILES | CC(C1=CC(C(O)=O)=C(Cl)N=C1)(C)C |
| Synonyms | 5-tert-butyl-2-chloropyridine-3-carboxylic acid,
1784306-92-8,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.661g/mol |
| Monoisotopic Mass | 213.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number