| CAS Number | 1363405-21-3 |
| Catalog Number | AG0011S2(AGN-PC-0WD0J6) |
| Chemical Name | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-chloro-, ethyl ester |
| IUPAC Name | ethyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate |
| InChI | InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-8-11-7(10)3-4-13(8)12-6/h3-5H,2H2,1H3 |
| InChI Key | HVKZDATVDUBOCP-UHFFFAOYSA-N |
| MDL Number | MFCD21607428 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | O=C(C1=NN2C=CC(Cl)=NC2=C1)OCC |
| Synonyms | Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate,
1363405-21-3,
DTXSID70856516,
MFCD21607428,
ZINC91691527,
AK135335,
AS-36495,
AB0075070,
AJ-131878,
AX8224881,
CS-0080364,
X-2346,
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-chloro-, ethyl ester,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.632g/mol |
| Monoisotopic Mass | 225.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number