| CAS Number | 1275532-60-9 |
| Catalog Number | AG01C46N |
| Chemical Name | 1-(4-chloro-3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-chloro-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C13H10ClFN2O2/c14-9-5-4-7(6-10(9)15)17-11-3-1-2-8(11)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19) |
| InChI Key | SSFYDYAZZVNIAD-UHFFFAOYSA-N |
| MDL Number | MFCD30497939 |
| Molecular Formula | C13H10ClFN2O2 |
| Molecular Weight | 280.6821 |
| SMILES | OC(C1C2=C(CCC2)N(C2=CC(F)=C(Cl)C=C2)N=1)=O |
| Synonyms | 1-(4-chloro-3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
1275532-60-9,
ZINC49121309,
AKOS006043327,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.683g/mol |
| Monoisotopic Mass | 280.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number