| CAS Number | 89938-06-7 |
| Catalog Number | AG01AGU3(AGN-PC-03KYFL) |
| Chemical Name | 4,6-Dichloro-5-(propan-2-yl)pyrimidine |
| IUPAC Name | 4,6-dichloro-5-propan-2-ylpyrimidine |
| InChI | InChI=1S/C7H8Cl2N2/c1-4(2)5-6(8)10-3-11-7(5)9/h3-4H,1-2H3 |
| InChI Key | WGEQNVJAKYNYTM-UHFFFAOYSA-N |
| MDL Number | MFCD18844158 |
| Molecular Formula | C7H8Cl2N2 |
| Molecular Weight | 191.0578 |
| SMILES | CC(C1=C(Cl)N=CN=C1Cl)C |
| Synonyms | 89938-06-7,
4,6-Dichloro-5-(propan-2-yl)pyrimidine,
Pyrimidine, 4,6-dichloro-5-(1-methylethyl)-,
4,6-dichloro-5-isopropyl-pyrimidine,
ACMC-20ls38,
SCHEMBL2059090,
CTK2I8375,
DTXSID90622790,
ZINC82473995,
AKOS012922947,
4,6-dichloro-5-isopropylpyrimidine,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.055g/mol |
| Monoisotopic Mass | 190.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number