| CAS Number | 97691-23-1 |
| Catalog Number | AG01FPVX(AGN-PC-001UAQ) |
| Chemical Name | 2-chloro-6-(1,1-dimethylethyl)-pyridine |
| IUPAC Name | 2-tert-butyl-6-chloropyridine |
| InChI | InChI=1S/C9H12ClN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3 |
| InChI Key | AMEALNUOZWKTJR-UHFFFAOYSA-N |
| MDL Number | MFCD15526818 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | ClC1=CC=CC(C(C)(C)C)=N1 |
| Synonyms | 2-(tert-Butyl)-6-chloropyridine,
97691-23-1,
2-chloro-6-tert-butylpyridine,
2-TERT-BUTYL-6-CHLOROPYRIDINE,
SCHEMBL179283,
ZINC34320131,
FCH1145272,
AS-63948,
SC-35553,
AX8270609,
2-chloro-6-(1,1-dimethylethyl)-Pyridine,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.065827g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.65g/mol |
| Monoisotopic Mass | 169.065827g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9Ų |
| 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