| CAS Number | 1007541-84-5 |
| Catalog Number | AG00JW2G(AGN-PC-0WO2NW) |
| Chemical Name | 5-(2-Chlorophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7ClN2O2/c11-8-4-2-1-3-6(8)9-7(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15) |
| InChI Key | HXXALKIHVJHCQL-UHFFFAOYSA-N |
| MDL Number | MFCD08443860 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | OC(C1C(C2=C(Cl)C=CC=C2)=NNC=1)=O |
| Synonyms | 5-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid,
1007541-84-5,
3-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid,
CTK6H3214,
KS-00001OJG,
ZINC8700066,
MFCD08443860,
AKOS003672999,
AKOS022543721,
MCULE-8580987792,
NE21589,
3-(2-CHLOROPHENYL)-PYRAZOLE-4-CARBOXYLIC ACID,
Z1398461944,
|
| Complexity | 250 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.628g/mol |
| Monoisotopic Mass | 222.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number