| CAS Number | 1537618-65-7 |
| Catalog Number | AG01BVQ8 |
| Chemical Name | 2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile |
| IUPAC Name | 2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile |
| InChI | InChI=1S/C7H6ClN3O/c1-12-7-10-4-5(8)6(11-7)2-3-9/h4H,2H2,1H3 |
| InChI Key | LDBJNVCFXHPPPN-UHFFFAOYSA-N |
| MDL Number | MFCD23979496 |
| Molecular Formula | C7H6ClN3O |
| Molecular Weight | 183.5950 |
| SMILES | COC1=NC(CC#N)=C(Cl)C=N1 |
| Synonyms | 2-(5-chloro-2-methoxypyrimidin-4-yl)acetonitrile,
1537618-65-7,
ZINC87799696,
AKOS019320675,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.595g/mol |
| Monoisotopic Mass | 183.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number