| CAS Number | 1807221-07-3 |
| Catalog Number | AG01FS2Z(AGN-PC-3H5PO8) |
| Chemical Name | Ethyl 4-bromo-6-chloronicotinate |
| IUPAC Name | ethyl 4-bromo-6-chloropyridine-3-carboxylate |
| InChI | InChI=1S/C8H7BrClNO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3 |
| InChI Key | VBSPRZMIFJQURI-UHFFFAOYSA-N |
| MDL Number | MFCD26520840 |
| Molecular Formula | C8H7BrClNO2 |
| Molecular Weight | 264.5037 |
| SMILES | O=C(OCC)C1=CN=C(Cl)C=C1Br |
| Synonyms | Ethyl 4-bromo-6-chloronicotinate,
1807221-07-3,
AK00783568,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.93487g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.5g/mol |
| Monoisotopic Mass | 262.93487g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number