| CAS Number | 926265-67-0 |
| Catalog Number | AG01C3IN |
| Chemical Name | 1-(2,4-difluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C13H10F2N2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19) |
| InChI Key | DYCJIRSLFSRNQA-UHFFFAOYSA-N |
| MDL Number | MFCD09046921 |
| Molecular Formula | C13H10F2N2O2 |
| Molecular Weight | 264.2275 |
| SMILES | OC(C1C2=C(CCC2)N(C2=C(F)C=C(F)C=C2)N=1)=O |
| Synonyms | 1-(2,4-difluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
926265-67-0,
CTK7B9114,
ZINC21967960,
AKOS000130704,
Z2327883885,
1-(2,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.232g/mol |
| Monoisotopic Mass | 264.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number