| CAS Number | 126067-48-9 |
| Catalog Number | AG01A4TV |
| Chemical Name | 1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H8Cl2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-5H,1H3,(H,16,17) |
| InChI Key | KGCCBXHSOMDSPJ-UHFFFAOYSA-N |
| MDL Number | MFCD08443780 |
| Molecular Formula | C11H8Cl2N2O2 |
| Molecular Weight | 271.0994 |
| SMILES | CC1N(C2=C(Cl)C=C(Cl)C=C2)N=C(C(O)=O)C=1 |
| Synonyms | 126067-88-7,
1-(2,4-dichlorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid,
1-(2,4-DICHLORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID,
126067-48-9,
SCHEMBL1831047,
CTK4B4935,
DTXSID80561200,
ZINC8700403,
AKOS006031280,
MCULE-3654747373,
NE17993,
AJ-58375,
FT-0747023,
Z1601554811,
KGCCBXHSOMDSPJ-UHFFFAOYSA-N,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.097g/mol |
| Monoisotopic Mass | 269.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number