| CAS Number | 1007541-81-2 |
| Catalog Number | AG00JW2X(AGN-PC-0WO1Z6) |
| Chemical Name | 5-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15) |
| InChI Key | NRLXVXJRFCKANA-UHFFFAOYSA-N |
| MDL Number | MFCD07367327 |
| Molecular Formula | C10H7ClN2O2 |
| Molecular Weight | 222.6278 |
| SMILES | OC(C1C(C2=CC(Cl)=CC=C2)=NNC=1)=O |
| Synonyms | 1007541-81-2,
5-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid,
3-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid,
3-(3-CHLOROPHENYL)-PYRAZOLE-4-CARBOXYLIC ACID,
CTK6H2467,
KS-00001OK8,
ZINC8700067,
BBL024486,
HTS028081,
MFCD08443859,
STL284665,
AKOS003672888,
AKOS022061557,
MCULE-9774249740,
NE13648,
BB 0239336,
H5126,
3-(3-Chlorophenyl)pyrazole-4-carboxylic acid,
3-(3-Chloro-phenyl)-1H-pyrazole-4-carboxylic acid,
Z1381287336,
C10H7ClN2O2,
|
| 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