| CAS Number | 53967-81-0 |
| Catalog Number | AG00J2LX(AGN-PC-03GAT4) |
| Chemical Name | 4,6-Dichloro-5-ethylpyrimidine |
| IUPAC Name | 4,6-dichloro-5-ethylpyrimidine |
| InChI | InChI=1S/C6H6Cl2N2/c1-2-4-5(7)9-3-10-6(4)8/h3H,2H2,1H3 |
| InChI Key | RGNUWPUTQXUXQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11044127 |
| Molecular Formula | C6H6Cl2N2 |
| Molecular Weight | 177.0312 |
| SMILES | CCC1=C(Cl)N=CN=C1Cl |
| Synonyms | 4,6-dichloro-5-ethylpyrimidine,
53967-81-0,
SCHEMBL1899247,
4,6-dichloro-5-ethyl-pyrimidine,
4, 6-Dichloro-5-ethylpyrimidine,
RGNUWPUTQXUXQZ-UHFFFAOYSA-N,
MFCD11044127,
Pyrimidine, 4,6-dichloro-5-ethyl-,
ZINC82473960,
AKOS005229117,
FT-0719284,
A1-06105,
|
| Complexity | 99.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.028g/mol |
| Monoisotopic Mass | 175.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number