| CAS Number | 19532-40-2 |
| Catalog Number | AG01A2U3(AGN-PC-000K95) |
| Chemical Name | 1-(4-Chlorophenyl)pyrazole-3-carboxylicAcid |
| IUPAC Name | 1-(4-chlorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | DMRHUSUJIBVOKA-UHFFFAOYSA-N |
| MDL Number | MFCD10689377 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)O |
| Synonyms | 1-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid,
19532-40-2,
1-(4-chlorophenyl)pyrazole-3-carboxylic acid,
SCHEMBL15754423,
DMRHUSUJIBVOKA-UHFFFAOYSA-N,
ZINC26514886,
AKOS009260938,
MCULE-7572950960,
NE57835,
AM20030270,
1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-,
F8880-2250,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.628g/mol |
| Monoisotopic Mass | 222.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number