| CAS Number | 1290764-98-5 |
| Catalog Number | AG019XRE(AGN-PC-0WO3QQ) |
| Chemical Name | 4-Bromo-5-cyclopropyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C7H7BrN2O2/c8-4-5(3-1-2-3)9-10-6(4)7(11)12/h3H,1-2H2,(H,9,10)(H,11,12) |
| InChI Key | AIIBDINTMMYKKB-UHFFFAOYSA-N |
| MDL Number | MFCD13196290 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | OC(C1=C(Br)C(C2CC2)=NN1)=O |
| Synonyms | 4-bromo-3-cyclopropyl-1H-pyrazole-5-carboxylic acid,
1290764-98-5,
4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxylic acid,
AC1Q721O,
SCHEMBL17224842,
CTK7I5947,
BBL035306,
STL425363,
ZINC38342469,
AKOS010029708,
AKOS022476631,
MCULE-1479157514,
NE15916,
EN300-55856,
Z857666962,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number