| CAS Number | 1547135-36-3 |
| Catalog Number | AG01ALGF |
| Chemical Name | 2-(3-chloro-1-methyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(3-chloro-1-methylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C6H7ClN2O2/c1-9-3-4(2-5(10)11)6(7)8-9/h3H,2H2,1H3,(H,10,11) |
| InChI Key | QJBMFOUJBDRXJB-UHFFFAOYSA-N |
| MDL Number | MFCD28954357 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | CN1N=C(Cl)C(CC(O)=O)=C1 |
| Synonyms | 2-(3-chloro-1-methyl-1H-pyrazol-4-yl)acetic acid,
1547135-36-3,
AKOS023597317,
ZINC107250123,
Z2042090024,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.584g/mol |
| Monoisotopic Mass | 174.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number