| CAS Number | 1023758-00-0 |
| Catalog Number | AG00J2GA(AGN-PC-0WB5XI) |
| Chemical Name | 4-Chloro-3,6-Dimethylisoxazolo[5,4-D]Pyrimidine |
| IUPAC Name | 4-chloro-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine |
| InChI | InChI=1S/C7H6ClN3O/c1-3-5-6(8)9-4(2)10-7(5)12-11-3/h1-2H3 |
| InChI Key | CUFAYYSEUAURDV-UHFFFAOYSA-N |
| MDL Number | MFCD16992238 |
| Molecular Formula | C7H6ClN3O |
| Molecular Weight | 183.5950 |
| SMILES | CC1=NC(Cl)=C2C(ON=C2C)=N1 |
| Synonyms | 4-chloro-3,6-dimethylisoxazolo[5,4-d]pyrimidine,
1023758-00-0,
SCHEMBL4782884,
ZX-CM009544,
FCH925463,
MFCD16992238,
ZINC49455455,
AKOS006333920,
OR53180,
OR53182,
Y-7741,
4-Chloro-3,6-dimethylisoxazolo[5,4-d]pyrimidine, AldrichCPR,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.595g/mol |
| Monoisotopic Mass | 183.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number