| CAS Number | 1152866-69-7 |
| Catalog Number | AG019X7E |
| Chemical Name | 1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2,4-dichlorophenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H6Cl2N2O2/c11-7-1-2-9(8(12)3-7)14-5-6(4-13-14)10(15)16/h1-5H,(H,15,16) |
| InChI Key | KTVDXAMDPPHMCX-UHFFFAOYSA-N |
| MDL Number | MFCD11128116 |
| Molecular Formula | C10H6Cl2N2O2 |
| Molecular Weight | 257.0728 |
| SMILES | OC(C1=CN(C2=C(Cl)C=C(Cl)C=C2)N=C1)=O |
| Synonyms | 1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboxylic acid,
1152866-69-7,
AC1Q73XF,
CTK6G8139,
ZINC19809431,
AKOS000206894,
MCULE-1936903984,
NE28639,
EN300-54257,
AB01000854-01,
Z818727096,
1-(2,4-Dichlorophenyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.07g/mol |
| Monoisotopic Mass | 255.981g/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