| CAS Number | 1152949-12-6 |
| Catalog Number | AG01ABH8 |
| Chemical Name | 1-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H6Cl2N2O2/c11-7-2-1-6(5-8(7)12)14-4-3-9(13-14)10(15)16/h1-5H,(H,15,16) |
| InChI Key | QSPGYAIOLVRCEY-UHFFFAOYSA-N |
| MDL Number | MFCD11650174 |
| Molecular Formula | C10H6Cl2N2O2 |
| Molecular Weight | 257.0728 |
| SMILES | O=C(C1=NN(C2=CC=C(Cl)C(Cl)=C2)C=C1)O |
| Synonyms | 1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid,
1152949-12-6,
AC1Q745X,
ZINC37467439,
AKOS008127549,
MCULE-7610540886,
NE18641,
EN300-71627,
|
| 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 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number