| CAS Number | 1423734-30-8 |
| Catalog Number | AG01A3CQ |
| Chemical Name | 1-(2-chlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-chlorophenyl)-4-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H9ClN2O2/c1-7-6-14(13-10(7)11(15)16)9-5-3-2-4-8(9)12/h2-6H,1H3,(H,15,16) |
| InChI Key | XMVOKDPWHPIDSD-UHFFFAOYSA-N |
| MDL Number | MFCD23144013 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | CC1C(C(O)=O)=NN(C2=C(Cl)C=CC=C2)C=1 |
| Synonyms | 1-(2-chlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid,
1423734-30-8,
ZINC88613600,
AKOS033426239,
MCULE-8308612533,
NE17548,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number