| CAS Number | 870704-02-2 |
| Catalog Number | AG003CYY(AGN-PC-0WBOGY) |
| Chemical Name | 1-(4-Chlorophenyl)-3-phenylpyrazole-4-propionic acid |
| IUPAC Name | 3-[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]propanoic acid |
| InChI | InChI=1S/C18H15ClN2O2/c19-15-7-9-16(10-8-15)21-12-14(6-11-17(22)23)18(20-21)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23) |
| InChI Key | GMSVFODLMTZECM-UHFFFAOYSA-N |
| MDL Number | MFCD07784413 |
| Molecular Formula | C18H15ClN2O2 |
| Molecular Weight | 326.7769 |
| SMILES | OC(=O)CCc1cn(nc1c1ccccc1)c1ccc(cc1)Cl |
| Synonyms | 870704-02-2,
1-(4-Chlorophenyl)-3-phenylpyrazole-4-propionic acid,
3-(1-(4-Chlorophenyl)-3-phenyl-1H-pyrazol-4-yl)propanoic acid,
3-[1-(4-Chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]propanoic acid,
ACMC-20apay,
CTK8C6242,
DTXSID10584740,
4555AH,
KM2469,
MFCD07784413,
ZINC25761636,
1-(4-Chlorophenyl)-3-phenylpyrazole-4-p,
RT-018103,
1-(4-chlorophenyl)-3-phenylpyrazole-4-Propanoic acid,
1-(4-Chlorophenyl)-3-phenylpyrazole-4-propionic acid, 97%,
3-[1-(4-CHLOROPHENYL)-3-PHENYLPYRAZOL-4-YL]PROPANOIC ACID,
C18H15ClN2O2,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.78g/mol |
| Monoisotopic Mass | 326.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number