| CAS Number | 1118787-44-2 |
| Catalog Number | AG019UEF |
| Chemical Name | ethyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate |
| IUPAC Name | ethyl 5-(chloromethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C10H10ClN3O3/c1-2-17-10(16)7-5-12-14-8(15)3-6(4-11)13-9(7)14/h3,5,12H,2,4H2,1H3 |
| InChI Key | IZARJLQSTCNZEO-UHFFFAOYSA-N |
| MDL Number | MFCD11839858 |
| Molecular Formula | C10H10ClN3O3 |
| Molecular Weight | 255.6577 |
| SMILES | CCOC(C1=C2N(C(=CC(=N2)CCl)O)N=C1)=O |
| Synonyms | ethyl 5-(chloromethyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate,
1118787-44-2,
AC1Q33VC,
CTK6F7299,
CTK8F9622,
ZINC32628079,
AKOS030744512,
MCULE-4269542390,
NE15285,
EN300-41406,
|
| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.658g/mol |
| Monoisotopic Mass | 255.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number