| CAS Number | 1030431-70-9 |
| Catalog Number | AG007Y6R(AGN-PC-0WB5E0) |
| Chemical Name | 4-Chloro-6-Isopropyl-2-Methylpyrimidine |
| IUPAC Name | 4-chloro-2-methyl-6-propan-2-ylpyrimidine |
| InChI | InChI=1S/C8H11ClN2/c1-5(2)7-4-8(9)11-6(3)10-7/h4-5H,1-3H3 |
| InChI Key | NBTQEPZTDCYJTE-UHFFFAOYSA-N |
| MDL Number | MFCD11215299 |
| Molecular Formula | C8H11ClN2 |
| Molecular Weight | 170.6393 |
| SMILES | N1=C(C)N=C(C=C1Cl)C(C)C |
| Synonyms | 4-chloro-6-isopropyl-2-methylpyrimidine,
1030431-70-9,
4-chloro-2-methyl-6-(propan-2-yl)pyrimidine,
SCHEMBL3804897,
CTK4A1695,
DTXSID90649306,
ALBB-008867,
7726AC,
MFCD11215299,
STK505627,
ZINC20427062,
AKOS000321480,
AB63790,
RTR-060838,
TR-060838,
CS-0045589,
Y-6707,
C8H11ClN2,
1-[(1H-BENZIMIDAZOL-2-YLAMINO)METHYL]-2-NAPHTHOL,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.64g/mol |
| Monoisotopic Mass | 170.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number