| CAS Number | 1448684-44-3 |
| Catalog Number | AG00HX8D(AGN-PC-0WOA3H) |
| Chemical Name | Ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate |
| IUPAC Name | ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-8-9(2)15-16(12)11-7-5-4-6-10(11)14/h4-8H,3H2,1-2H3 |
| InChI Key | YZOLNMZEQWZTOV-UHFFFAOYSA-N |
| MDL Number | MFCD27935907 |
| Molecular Formula | C13H13BrN2O2 |
| Molecular Weight | 309.1585 |
| SMILES | CCOC(=O)c1cc(nn1c1ccccc1Br)C |
| Synonyms | Ethyl 2-(2-bromophenyl)-5-methylpyrazole-3-carboxylate,
1448684-44-3,
ZINC97756639,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.163g/mol |
| Monoisotopic Mass | 308.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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