| CAS Number | 1291275-80-3 |
| Catalog Number | AG00HRWP(AGN-PC-0WO92B) |
| Chemical Name | Methyl 4-bromo-3-cyclopropyl-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxylate |
| InChI | InChI=1S/C8H9BrN2O2/c1-13-8(12)7-5(9)6(10-11-7)4-2-3-4/h4H,2-3H2,1H3,(H,10,11) |
| InChI Key | GKNCRSJAAPEFAZ-UHFFFAOYSA-N |
| MDL Number | MFCD26130221 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | BrC=1C(=NNC1C(=O)OC)C1CC1 |
| Synonyms | methyl 4-bromo-3-cyclopropyl-1H-pyrazole-5-carboxylate,
1291275-80-3,
C8H9BrN2O2,
methyl 4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxylate,
BBL035136,
HTS004215,
MFCD26130221,
STL419948,
ZINC44242573,
AKOS011067936,
AKOS024255942,
BS-4542,
NE48670,
KS-00003I02,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number