| CAS Number | 956769-53-2 |
| Catalog Number | AG019KKY |
| Chemical Name | 1-(4-Chlorophenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-12(13-2-1-7-20-13)8-11(16-17)14(18)19/h1-8H,(H,18,19) |
| InChI Key | NJOHPIOKTHWUOM-UHFFFAOYSA-N |
| MDL Number | MFCD09040591 |
| Molecular Formula | C14H9ClN2O3 |
| Molecular Weight | 288.6859 |
| SMILES | ClC1=CC=C(C=C1)N1N=C(C=C1C=1OC=CC1)C(=O)O |
| Synonyms | 1-(4-chlorophenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid,
956769-53-2,
1-(4-chlorophenyl)-5-(2-furyl)-1H-pyrazole-3-carboxylic acid,
CTK6H0506,
AC1Q7451,
ZINC12505473,
AKOS009120102,
MCULE-2574625317,
NE14117,
EN300-27352,
AB00773626-01,
Z235340065,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.687g/mol |
| Monoisotopic Mass | 288.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number