| CAS Number | 926253-82-9 |
| Catalog Number | AG01ABH9 |
| Chemical Name | 1-(2,4-dichlorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C13H10Cl2N2O2/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 | QQGLPZJTZFWPDK-UHFFFAOYSA-N |
| MDL Number | MFCD09045196 |
| Molecular Formula | C13H10Cl2N2O2 |
| Molecular Weight | 297.1367 |
| SMILES | OC(C1C2=C(CCC2)N(C2=C(Cl)C=C(Cl)C=C2)N=1)=O |
| Synonyms | 1-(2,4-dichlorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
926253-82-9,
AC1Q746F,
CTK6G8134,
ZINC21960990,
AKOS000129459,
MCULE-6770052557,
NE23354,
EN300-71628,
Z1259273348,
1-(2,4-DICHLOROPHENYL)-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 | 296.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.135g/mol |
| Monoisotopic Mass | 296.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number