| CAS Number | 6647-95-6 |
| Catalog Number | AG01DWKY |
| Chemical Name | 4-Iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-iodo-1,5-dimethylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C6H7IN2O2/c1-3-4(7)5(6(10)11)8-9(3)2/h1-2H3,(H,10,11) |
| InChI Key | LLKCKWLAENNHOZ-UHFFFAOYSA-N |
| MDL Number | MFCD16702693 |
| Molecular Formula | C6H7IN2O2 |
| Molecular Weight | 266.0365 |
| SMILES | CC1N(C)N=C(C(O)=O)C=1I |
| Synonyms | 4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid,
6647-95-6,
SCHEMBL16268552,
ZINC51330882,
AKOS011552562,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.038g/mol |
| Monoisotopic Mass | 265.955g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number