| CAS Number | 1152534-63-8 |
| Catalog Number | AG019X57(AGN-PC-0WO65Y) |
| Chemical Name | 1-(3-fluorophenyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3-fluorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H7FN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,(H,14,15) |
| InChI Key | AXDRYXSIVKHKKA-UHFFFAOYSA-N |
| MDL Number | MFCD10692743 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | OC(C1=NN(C2=CC(F)=CC=C2)C=C1)=O |
| Synonyms | 1-(3-fluorophenyl)-1H-pyrazole-3-carboxylic acid,
1152534-63-8,
1-(3-fluorophenyl)pyrazole-3-carboxylic acid,
AC1Q745Z,
SCHEMBL15755051,
CTK7C1970,
AXDRYXSIVKHKKA-UHFFFAOYSA-N,
ZINC34957527,
AKOS005206034,
MCULE-9950540473,
NE34167,
EN300-54069,
Z815264282,
|
| Complexity | 250 |
| 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