| CAS Number | 58347-48-1 |
| Catalog Number | AG01DWIF(AGN-PC-0WD632) |
| Chemical Name | Ethyl 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
| IUPAC Name | ethyl 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-5-12-14-8(11)4-6(2)13-9(7)14/h4-5H,3H2,1-2H3 |
| InChI Key | SSFMULHSDYYZIN-UHFFFAOYSA-N |
| MDL Number | MFCD19313054 |
| Molecular Formula | C10H10ClN3O2 |
| Molecular Weight | 239.6583 |
| SMILES | CCOC(C1=C2N(C(=CC(=N2)C)Cl)N=C1)=O |
| Synonyms | Ethyl 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate,
58347-48-1,
SCHEMBL10407266,
SSFMULHSDYYZIN-UHFFFAOYSA-N,
MFCD19313054,
ZINC39200788,
AKOS022528206,
AJ-98990,
AK151892,
AX8288434,
CS-0080382,
7-chloro-3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.659g/mol |
| Monoisotopic Mass | 239.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number