| CAS Number | 1192263-86-7 |
| Catalog Number | AG0090ZI(AGN-PC-0WB0MT) |
| Chemical Name | ethyl 5-bromo-4,6-dichloronicotinate |
| IUPAC Name | ethyl 5-bromo-4,6-dichloropyridine-3-carboxylate |
| InChI | InChI=1S/C8H6BrCl2NO2/c1-2-14-8(13)4-3-12-7(11)5(9)6(4)10/h3H,2H2,1H3 |
| InChI Key | ODTKOAIVGLPTNA-UHFFFAOYSA-N |
| MDL Number | MFCD13193100 |
| Molecular Formula | C8H6BrCl2NO2 |
| Molecular Weight | 298.9487 |
| SMILES | [Br]C1(=C(Cl)N=CC(=C1Cl)C(=O)OCC) |
| Synonyms | ethyl 5-bromo-4,6-dichloronicotinate,
1192263-86-7,
ethyl 5-bromo-4,6-dichloropyridine-3-carboxylate,
ethylbromodichloronicotinate,
CTK6F7072,
ZX-RL003049,
MFCD13193100,
ZINC40564656,
AKOS005073425,
FCH1381852,
KD-0750,
MCULE-5305485845,
RP16042,
KS-00001Q83,
OR303820,
AJ-103497,
TR-065678,
Z-2450,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.945g/mol |
| Monoisotopic Mass | 296.896g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number