| CAS Number | 1011476-27-9 |
| Catalog Number | AG00977V |
| Chemical Name | Tert-butyl 5,6-dichloropyridine-3-carboxylate |
| IUPAC Name | tert-butyl 5,6-dichloropyridine-3-carboxylate |
| InChI | InChI=1S/C10H11Cl2NO2/c1-10(2,3)15-9(14)6-4-7(11)8(12)13-5-6/h4-5H,1-3H3 |
| InChI Key | SQAFQWVWXRQGGK-UHFFFAOYSA-N |
| MDL Number | MFCD18897593 |
| Molecular Formula | C10H11Cl2NO2 |
| Molecular Weight | 248.1058 |
| SMILES | CC(OC(C1=CC(Cl)=C(Cl)N=C1)=O)(C)C |
| Synonyms | Tert-butyl 5,6-dichloropyridine-3-carboxylate,
1011476-27-9,
tert-butyl 5,6-dichloronicotinate,
SCHEMBL454098,
SQAFQWVWXRQGGK-UHFFFAOYSA-N,
ZINC34571164,
AKOS013152116,
5,6-Dichloro-nicotinic acid tert-butyl ester,
5,6-dichloronicotinic acid tert.-butyl ester,
CID10933837,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.103g/mol |
| Monoisotopic Mass | 247.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number