| CAS Number | 380196-88-3 |
| Catalog Number | AG019GWP |
| Chemical Name | 2-chloro-1-[3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone |
| InChI | InChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(14-2-1-7-21-14)8-12(18-19)10-3-5-11(17)6-4-10/h1-7,13H,8-9H2 |
| InChI Key | UEBPPDDUWDPSDW-UHFFFAOYSA-N |
| MDL Number | MFCD02720611 |
| Molecular Formula | C15H12Cl2N2O2 |
| Molecular Weight | 323.174 |
| SMILES | ClCC(N1C(C2OC=CC=2)CC(C2=CC=C(Cl)C=C2)=N1)=O |
| Synonyms | 2-chloro-1-[3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one,
380196-88-3,
2-Chloro-1-[3-(4-chloro-phenyl)-5-furan-2-yl-4,5-dihydro-pyrazol-1-yl]-ethanone,
AC1NN0YI,
AC1Q3TFP,
CTK6H5168,
STK999923,
AKOS000115079,
AKOS016877997,
MCULE-3731036656,
NE29632,
UPCMLD0ENAT5266941:001,
EN300-01553,
2-chloro-1-[3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone,
2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone,
ZINC03885217,
CID5019322,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.173g/mol |
| Monoisotopic Mass | 322.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number