| CAS Number | 1257878-78-6 |
| Catalog Number | AG019XB7(AGN-PC-0WO64K) |
| Chemical Name | 4-Bromo-3-isopropyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H9BrN2O2/c1-3(2)5-4(8)6(7(11)12)10-9-5/h3H,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | WUTSFEOMMZCXFZ-UHFFFAOYSA-N |
| MDL Number | MFCD13704082 |
| Molecular Formula | C7H9BrN2O2 |
| Molecular Weight | 233.0626 |
| SMILES | CC(C1C(Br)=C(C(O)=O)NN=1)C |
| Synonyms | 1257878-78-6,
4-bromo-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid,
4-bromo-3-isopropyl-1H-pyrazole-5-carboxylic acid,
4-bromo-5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid,
AC1Q1OYY,
BBL032562,
SBB081410,
STK933559,
ZINC40162927,
AKOS000276490,
AKOS005663074,
MCULE-3759598766,
NE37595,
EN300-54548,
4-bromo-3-(methylethyl)pyrazole-5-carboxylic acid,
Z1222278659,
4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylic acid,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.065g/mol |
| Monoisotopic Mass | 231.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number