| CAS Number | 1191094-17-3 |
| Catalog Number | AG01E7RO |
| Chemical Name | Methyl 4-Chloro-2-Methylpyrimidine-5-Carboxylate |
| IUPAC Name | methyl 4-chloro-2-methylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C7H7ClN2O2/c1-4-9-3-5(6(8)10-4)7(11)12-2/h3H,1-2H3 |
| InChI Key | VHNDAZZATFYKRH-UHFFFAOYSA-N |
| MDL Number | MFCD26638502 |
| Molecular Formula | C7H7ClN2O2 |
| Molecular Weight | 186.5957 |
| SMILES | O=C(C1=CN=C(C)N=C1Cl)OC |
| Synonyms | methyl 4-chloro-2-methylpyrimidine-5-carboxylate,
1191094-17-3,
SCHEMBL1014652,
VHNDAZZATFYKRH-UHFFFAOYSA-N,
ZINC84450218,
4-Chloro-2-methyl-pyrimidine-5-carboxylic acid methyl ester,
ethyl 4-chloro-2-methylpyrimidine-5-carboxylate,
4-chloro-2-methyl-5-Pyrimidinecarboxylic acid methyl ester,
2134-36-3,
|
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number