| CAS Number | 1221725-88-7 |
| Catalog Number | AG019Y5E(AGN-PC-0WOD3S) |
| Chemical Name | 5-Chloro-2-(propan-2-yl)pyrimidine-4-carboxylic acid |
| IUPAC Name | 5-chloro-2-propan-2-ylpyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C8H9ClN2O2/c1-4(2)7-10-3-5(9)6(11-7)8(12)13/h3-4H,1-2H3,(H,12,13) |
| InChI Key | DRMCXNXIJDQDQF-UHFFFAOYSA-N |
| MDL Number | MFCD14705663 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | CC(C1=NC(C(O)=O)=C(Cl)C=N1)C |
| Synonyms | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxylic acid,
1221725-88-7,
AC1Q1OWP,
CTK6A6078,
STL451530,
ZINC39947535,
AKOS022404426,
MCULE-1821870063,
NE25033,
NCGC00337693-01,
EN300-57121,
AB01329215-02,
Z910842756,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.622g/mol |
| Monoisotopic Mass | 200.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number