| CAS Number | 90002-86-1 |
| Catalog Number | AG006MD7(AGN-PC-0WB3JQ) |
| Chemical Name | 4-Chloro-6-methyl-2-propylpyrimidine |
| IUPAC Name | 4-chloro-6-methyl-2-propylpyrimidine |
| InChI | InChI=1S/C8H11ClN2/c1-3-4-8-10-6(2)5-7(9)11-8/h5H,3-4H2,1-2H3 |
| InChI Key | AIPSHVWZBOQGON-UHFFFAOYSA-N |
| MDL Number | MFCD08753339 |
| Molecular Formula | C8H11ClN2 |
| Molecular Weight | 170.6393 |
| SMILES | N1C(CCC)=NC(=CC=1Cl)C |
| Synonyms | 4-CHLORO-6-METHYL-2-PROPYLPYRIMIDINE,
90002-86-1,
ASISCHEM C63666,
SCHEMBL1671889,
CTK5G7251,
DTXSID10589790,
ZINC8731064,
MFCD08753339,
AKOS000284066,
AJ-59126,
Y-4738,
ASISCHEMC63666,
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| Complexity | 119 |
| 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 | 2 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number