| CAS Number | 2103703-44-0 |
| Catalog Number | AG01DQTJ |
| Chemical Name | methyl 4-bromo-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate |
| InChI | InChI=1S/C6H4BrF3N2O2/c1-14-5(13)3-2(7)4(12-11-3)6(8,9)10/h1H3,(H,11,12) |
| InChI Key | UBNAAWVCLXVQJV-UHFFFAOYSA-N |
| MDL Number | MFCD26938114 |
| Molecular Formula | C6H4BrF3N2O2 |
| Molecular Weight | 273.0074 |
| SMILES | COC(=O)c1[nH]nc(c1Br)C(F)(F)F |
| Synonyms | methyl 4-bromo-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate,
2103703-44-0,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.009g/mol |
| Monoisotopic Mass | 271.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number