| CAS Number | 1112178-31-0 |
| Catalog Number | AG01BHW9(AGN-PC-0WD7TK) |
| Chemical Name | Methyl 6-Chloro-2-Methylpyrimidine-4-Carboxylate |
| IUPAC Name | methyl 6-chloro-2-methylpyrimidine-4-carboxylate |
| InChI | InChI=1S/C7H7ClN2O2/c1-4-9-5(7(11)12-2)3-6(8)10-4/h3H,1-2H3 |
| InChI Key | GVWINSVUIDRJFT-UHFFFAOYSA-N |
| MDL Number | MFCD16660476 |
| Molecular Formula | C7H7ClN2O2 |
| Molecular Weight | 186.5957 |
| SMILES | CC1=NC(C(OC)=O)=CC(Cl)=N1 |
| Synonyms | methyl 6-chloro-2-methylpyrimidine-4-carboxylate,
1112178-31-0,
SCHEMBL3641920,
MFCD16660476,
STL227185,
ZINC72414670,
AKOS015858229,
MCULE-6038441122,
SB13811,
AS-43568,
methyl6-chloro-2-methylpyrimidine-4-carboxylate,
6-chloro-2-methyl-4-Pyrimidinecarboxylic acid methyl ester,
|
| Complexity | 177 |
| 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 | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number