| CAS Number | 3122-82-5 |
| Catalog Number | AG01A6UX |
| Chemical Name | 4,6-Dichloro-2-(ethoxymethyl)pyrimidine |
| IUPAC Name | 4,6-dichloro-2-(ethoxymethyl)pyrimidine |
| InChI | InChI=1S/C7H8Cl2N2O/c1-2-12-4-7-10-5(8)3-6(9)11-7/h3H,2,4H2,1H3 |
| InChI Key | PYDUJAPRBBVWSO-UHFFFAOYSA-N |
| MDL Number | MFCD21282187 |
| Molecular Formula | C7H8Cl2N2O |
| Molecular Weight | 207.0572 |
| SMILES | CCOCC1=NC(Cl)=CC(Cl)=N1 |
| Synonyms | 4,6-dichloro-2-(ethoxymethyl)pyrimidine,
3122-82-5,
ZINC84062661,
AKOS015008854,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.054g/mol |
| Monoisotopic Mass | 206.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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