| CAS Number | 853680-81-6 |
| Catalog Number | AG01BD3U(AGN-PC-0V05SL) |
| Chemical Name | methyl 2-(4,6-dichloropyrimidin-5-yl)propanoate |
| IUPAC Name | methyl 2-(4,6-dichloropyrimidin-5-yl)propanoate |
| InChI | InChI=1S/C8H8Cl2N2O2/c1-4(8(13)14-2)5-6(9)11-3-12-7(5)10/h3-4H,1-2H3 |
| InChI Key | IIXYHUAWJVEBDO-UHFFFAOYSA-N |
| MDL Number | MFCD28023761 |
| Molecular Formula | C8H8Cl2N2O2 |
| Molecular Weight | 235.0673 |
| SMILES | COC(C(C1=C(Cl)N=CN=C1Cl)C)=O |
| Synonyms | 853680-81-6,
methyl 2-(4,6-dichloropyrimidin-5-yl)propanoate,
Methyl 2-(4,6-Dichloro-5-pyrimidinyl)propanoate,
SCHEMBL2797249,
IIXYHUAWJVEBDO-UHFFFAOYSA-N,
AKOS026744779,
SY039242,
MFCD28023761 (95%),
2-(4,6-Dichloro-pyrimidin-5-yl)-propionic acid methyl ester,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.064g/mol |
| Monoisotopic Mass | 233.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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