| CAS Number | 64179-81-3 |
| Catalog Number | AG01A1CH(AGN-PC-0NIRAD) |
| Chemical Name | ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate |
| IUPAC Name | ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C9H11ClN2O2/c1-3-7-11-5-6(8(10)12-7)9(13)14-4-2/h5H,3-4H2,1-2H3 |
| InChI Key | BWMPMYWAOKAOGP-UHFFFAOYSA-N |
| MDL Number | MFCD16660493 |
| Molecular Formula | C9H11ClN2O2 |
| Molecular Weight | 214.6488 |
| SMILES | CCOC(C1=C(Cl)N=C(CC)N=C1)=O |
| Synonyms | ethyl 4-chloro-2-ethylpyrimidine-5-carboxylate,
64179-81-3,
ethyl 2-ethyl-4-chloropyrimidine-5-carboxylate,
SCHEMBL7726224,
BWMPMYWAOKAOGP-UHFFFAOYSA-N,
ZINC39214226,
AKOS026727128,
NE60954,
5-ethoxycarbonyl 4-chloro 2-ethyl pyrimidine,
ethyl 4-chloro-2-ethyl-5-pyrimidine carboxylate,
Z1982493890,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.649g/mol |
| Monoisotopic Mass | 214.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number