| CAS Number | 4320-02-9 |
| Catalog Number | AG01ABM8(AGN-PC-0WODN1) |
| Chemical Name | 4-Chloro-6-methoxypyrimidine-5-carboxylic acid |
| IUPAC Name | 4-chloro-6-methoxypyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C6H5ClN2O3/c1-12-5-3(6(10)11)4(7)8-2-9-5/h2H,1H3,(H,10,11) |
| InChI Key | VQTOTBXZLOEKOH-UHFFFAOYSA-N |
| MDL Number | MFCD16657446 |
| Molecular Formula | C6H5ClN2O3 |
| Molecular Weight | 188.5685 |
| SMILES | O=C(C1=C(OC)N=CN=C1Cl)O |
| Synonyms | 4-chloro-6-methoxypyrimidine-5-carboxylic acid,
4320-02-9,
SCHEMBL18113766,
ZINC88189876,
AKOS023769986,
NE39549,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.567g/mol |
| Monoisotopic Mass | 187.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number