| CAS Number | 1152535-34-6 |
| Catalog Number | AG008Z52(AGN-PC-0WO7LC) |
| Chemical Name | 1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | OYGSDSZQKGMLJZ-UHFFFAOYSA-N |
| MDL Number | MFCD11099430 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | OC(C1=NN(C2=CC=C(F)C=C2)C=C1)=O |
| Synonyms | 1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid,
1152535-34-6,
1-(4-fluorophenyl)pyrazole-3-carboxylic acid,
SCHEMBL14150735,
CTK7C0713,
OYGSDSZQKGMLJZ-UHFFFAOYSA-N,
AC1Q7461,
ZINC20475890,
AKOS009260937,
MCULE-9193308804,
NE14864,
EN300-36826,
F8889-4795,
Z381061474,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number