| CAS Number | 1216129-71-3 |
| Catalog Number | AG01BFLJ(AGN-PC-0WOQJI) |
| Chemical Name | Methyl 2-(2-Chloropyrimidin-4-Yl)Acetate |
| IUPAC Name | methyl 2-(2-chloropyrimidin-4-yl)acetate |
| InChI | InChI=1S/C7H7ClN2O2/c1-12-6(11)4-5-2-3-9-7(8)10-5/h2-3H,4H2,1H3 |
| InChI Key | UZQNENZJAICKBE-UHFFFAOYSA-N |
| MDL Number | MFCD13705339 |
| Molecular Formula | C7H7ClN2O2 |
| Molecular Weight | 186.5957 |
| SMILES | COC(CC1=NC(Cl)=NC=C1)=O |
| Synonyms | methyl 2-(2-chloropyrimidin-4-yl)acetate,
1216129-71-3,
SCHEMBL17618001,
Methyl 2-chloropyrimidine-4-acetate,
ZINC40546526,
AKOS023556252,
NE39713,
(2-Chloro-pyrimidin-4-yl)-acetic acid methyl ester,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.595g/mol |
| Monoisotopic Mass | 186.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number