| CAS Number | 1260675-31-7 |
| Catalog Number | AG01B2HD |
| Chemical Name | tert-butyl 2-(2-chloropyridin-3-yl)acetate |
| IUPAC Name | tert-butyl 2-(2-chloropyridin-3-yl)acetate |
| InChI | InChI=1S/C11H14ClNO2/c1-11(2,3)15-9(14)7-8-5-4-6-13-10(8)12/h4-6H,7H2,1-3H3 |
| InChI Key | JCLLWIAONURJSH-UHFFFAOYSA-N |
| MDL Number | MFCD16036403 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | CC(OC(CC1=C(Cl)N=CC=C1)=O)(C)C |
| Synonyms | TERT-BUTYL 2-(2-CHLOROPYRIDIN-3-YL)ACETATE,
1260675-31-7,
SCHEMBL20565261,
ZINC199830010,
SC-34506,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number