| CAS Number | 1013647-75-0 |
| Catalog Number | AG01FR1C(AGN-PC-3H5PDD) |
| Chemical Name | 2,6-Dichloro-nicotinic acid tert-butyl ester |
| IUPAC Name | tert-butyl 2,6-dichloropyridine-3-carboxylate |
| InChI | InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12/h4-5H,1-3H3 |
| InChI Key | GTWXYRAFRYVGNS-UHFFFAOYSA-N |
| MDL Number | MFCD26396106 |
| Molecular Formula | C10H11Cl2NO2 |
| Molecular Weight | 248.1058 |
| SMILES | O=C(c1ccc(nc1Cl)Cl)OC(C)(C)C |
| Synonyms | tert-butyl 2,6-dichloronicotinate,
tert-butyl 2,6-dichloropyridine-3-carboxylate,
1013647-75-0,
SCHEMBL1971986,
GTWXYRAFRYVGNS-UHFFFAOYSA-N,
ACN-050955,
A1-09709,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.016684g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.1g/mol |
| Monoisotopic Mass | 247.016684g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number