| CAS Number | 51850-60-3 |
| Catalog Number | AG00J2JI(AGN-PC-0WB5ZP) |
| Chemical Name | 4-Chloro-3-methylisoxazolo[5,4-d]pyrimidine |
| IUPAC Name | 4-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine |
| InChI | InChI=1S/C6H4ClN3O/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3 |
| InChI Key | OWGFMVBNTYVMEO-UHFFFAOYSA-N |
| MDL Number | MFCD14704902 |
| Molecular Formula | C6H4ClN3O |
| Molecular Weight | 169.5685 |
| SMILES | ClC1=C2C(=NC=N1)ON=C2C |
| Synonyms | 4-chloro-3-methylisoxazolo[5,4-d]pyrimidine,
51850-60-3,
4-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine,
SCHEMBL4733727,
MFCD14704902,
ZINC45921422,
AKOS006345695,
Y-7564,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.568g/mol |
| Monoisotopic Mass | 169.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number