| CAS Number | 2013373-96-9 |
| Catalog Number | AG019F0Z |
| Chemical Name | 1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate |
| InChI | InChI=1S/C11H17BrN2O2/c1-7-10(12)8(2)14(13-7)6-9(15)16-11(3,4)5/h6H2,1-5H3 |
| InChI Key | JNRKBPSERBRDOO-UHFFFAOYSA-N |
| MDL Number | MFCD30480471 |
| Molecular Formula | C11H17BrN2O2 |
| Molecular Weight | 289.1689 |
| SMILES | n1c(c(c(n1CC(=O)OC(C)(C)C)C)Br)C |
| Synonyms | 2013373-96-9,
tert-butyl 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate,
1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-, 1,1-dimethylethyl ester,
MFCD30480471,
CS-0062104,
t-Butyl 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate,
1H-Pyrazole-1-acetic acid, 4-bromo-3,5-dimethyl-,1,1-dimethylethyl ester,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.173g/mol |
| Monoisotopic Mass | 288.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number