| Catalog Number | ACM660408082 |
| CAS | 660408-08-2 |
| IUPAC Name | methyl 4-bromo-2,5-dimethylpyrazole-3-carboxylate |
| Synonyms | methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate;660408-08-2;DTXSID90718228;1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, methyl ester;BBL033072;MFCD19691762;STL237465;ZINC66442617;AKOS015997348;MCULE-5798142312;VS-11784;Y-8102;4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid, methyl ester |
| Molecular Weight | 233.06g/mol |
| Molecular Formula | C7H9BrN2O2 |
| Canonical SMILES | CC1=NN(C(=C1Br)C(=O)OC)C |
| InChI | InChI=1S/C7H9BrN2O2/c1-4-5(8)6(7(11)12-3)10(2)9-4/h1-3H3 |
| InChI Key | NWCFXOKZBLZXJD-UHFFFAOYSA-N |
| Complexity | 188 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 231.98474g/mol |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Monoisotopic Mass | 231.98474g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1Ų |
| X Log P3 | 1.5 |