| CAS Number | 54367-64-5 |
| Catalog Number | AG00DFLW(AGN-PC-0WBQ5O) |
| Chemical Name | 5-chloro-1-phenyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-chloro-1-phenylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7ClN2O2/c11-9-8(10(14)15)6-12-13(9)7-4-2-1-3-5-7/h1-6H,(H,14,15) |
| InChI Key | SOKCDRLJSDODJA-UHFFFAOYSA-N |
| MDL Number | MFCD07440101 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | OC(C1=C(Cl)N(C2=CC=CC=C2)N=C1)=O |
| Synonyms | 5-chloro-1-phenyl-1H-pyrazole-4-carboxylic acid,
54367-64-5,
5-chloro-1-phenylpyrazole-4-carboxylic acid,
IFLAB-BB F2124-0060,
AC1OGDH6,
SCHEMBL3076270,
DTXSID30428056,
SOKCDRLJSDODJA-UHFFFAOYSA-N,
ZINC4243206,
STL227869,
AKOS000320067,
MCULE-6010532395,
AB0168869,
ST45175037,
L-2826,
F2124-0060,
CID7147125,
5-chloro-1-phenyl-pyrazole-4-carboxylic Acid,
|
| Complexity | 244 |
| 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