| CAS Number | 957013-17-1 |
| Catalog Number | AG019KLP |
| Chemical Name | 1-(3-Chlorophenyl)-5-(2-furyl)-1h-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)17-12(13-5-2-6-20-13)8-11(16-17)14(18)19/h1-8H,(H,18,19) |
| InChI Key | ZSJXBAZRVIEQCK-UHFFFAOYSA-N |
| MDL Number | MFCD09373412 |
| Molecular Formula | C14H9ClN2O3 |
| Molecular Weight | 288.6859 |
| SMILES | OC(C1=NN(C2=CC(Cl)=CC=C2)C(C2OC=CC=2)=C1)=O |
| Synonyms | 1-(3-chlorophenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid,
957013-17-1,
AB00774702-01,
Z235348193,
1-(3-chlorophenyl)-5-(2-furyl)-1H-pyrazole-3-carboxylic acid,
CTK6H2742,
AC1Q7450,
ZINC12505509,
AKOS000118081,
MCULE-1435512103,
NE24209,
EN300-27428,
|
| Complexity | 368 |
| 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