| CAS Number | 1989671-82-0 |
| Catalog Number | AG01B6QT |
| Chemical Name | Ethyl 4-chloro-5-iodopyrimidine-2-carboxylate |
| IUPAC Name | ethyl 4-chloro-5-iodopyrimidine-2-carboxylate |
| InChI | InChI=1S/C7H6ClIN2O2/c1-2-13-7(12)6-10-3-4(9)5(8)11-6/h3H,2H2,1H3 |
| InChI Key | QUAPDPAOEQXMRF-UHFFFAOYSA-N |
| MDL Number | MFCD30342913 |
| Molecular Formula | C7H6ClIN2O2 |
| Molecular Weight | 312.4922 |
| SMILES | CCOC(C1=NC(Cl)=C(I)C=N1)=O |
| Synonyms | ethyl 4-chloro-5-iodopyrimidine-2-carboxylate,
1989671-82-0,
ZINC521399261,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.491g/mol |
| Monoisotopic Mass | 311.916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number