| CAS Number | 1245898-27-4 |
| Catalog Number | AG009J62(AGN-PC-0WR2V5) |
| Chemical Name | 2-(2,4,6-Trichloropyrimidin-5-yl)acetaldehyde |
| IUPAC Name | 2-(2,4,6-trichloropyrimidin-5-yl)acetaldehyde |
| InChI | InChI=1S/C6H3Cl3N2O/c7-4-3(1-2-12)5(8)11-6(9)10-4/h2H,1H2 |
| InChI Key | MZYDTDQBKJFHGC-UHFFFAOYSA-N |
| MDL Number | MFCD20264976 |
| Molecular Formula | C6H3Cl3N2O |
| Molecular Weight | 225.4598 |
| SMILES | C(C=O)C1=C(N=C(N=C1Cl)Cl)Cl |
| Synonyms | 2-(2,4,6-trichloropyrimidin-5-yl)acetaldehyde,
1245898-27-4,
SCHEMBL16510912,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.453g/mol |
| Monoisotopic Mass | 223.931g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number