| CAS Number | 1407966-16-8 |
| Catalog Number | AG01A5NJ |
| Chemical Name | ethyl 3-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 3-bromo-1-tert-butylpyrazole-4-carboxylate |
| InChI | InChI=1S/C10H15BrN2O2/c1-5-15-9(14)7-6-13(10(2,3)4)12-8(7)11/h6H,5H2,1-4H3 |
| InChI Key | GCMLQVCGOKDQKL-UHFFFAOYSA-N |
| MDL Number | MFCD25371602 |
| Molecular Formula | C10H15BrN2O2 |
| Molecular Weight | 275.1423 |
| SMILES | BrC1=NN(C=C1C(=O)OCC)C(C)(C)C |
| Synonyms | ethyl 3-bromo-1-tert-butyl-1H-pyrazole-4-carboxylate,
1407966-16-8,
SCHEMBL17777936,
ZINC95347863,
NE43228,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.146g/mol |
| Monoisotopic Mass | 274.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number