| CAS Number | 1210492-11-7 |
| Catalog Number | AG019X5M |
| Chemical Name | 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 2-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C12H11ClN2O4/c13-7-1-3-8(4-2-7)15-11(17)9(5-6-16)10(14-15)12(18)19/h1-4,14,16H,5-6H2,(H,18,19) |
| InChI Key | SPJLANAYHGFDJS-UHFFFAOYSA-N |
| MDL Number | MFCD00068873 |
| Molecular Formula | C12H11ClN2O4 |
| Molecular Weight | 282.6797 |
| SMILES | OCCC1C(=O)N(C2=CC=C(Cl)C=C2)NC=1C(O)=O |
| Synonyms | 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid,
1210492-11-7,
AC1Q7CIY,
CTK8A3684,
BBL011223,
MFCD13196005,
SBB081397,
STK935146,
ZINC38342256,
AKOS000276445,
MCULE-7458696366,
NE18892,
EN300-54096,
Z1258992580,
1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-3-pyrazoline-3-carboxylic acid,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.68g/mol |
| Monoisotopic Mass | 282.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number