| CAS Number | 1198437-47-6 |
| Catalog Number | AG01AOQP(AGN-PC-0WBERL) |
| Chemical Name | 1-(2-Fluoroethyl)-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-fluoroethyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4H2,(H,10,11) |
| InChI Key | CUOWNWHOEBDREB-UHFFFAOYSA-N |
| MDL Number | MFCD20660475 |
| Molecular Formula | C6H7FN2O2 |
| Molecular Weight | 158.1304 |
| SMILES | OC(C1=NN(CCF)C=C1)=O |
| Synonyms | 1-(2-fluoroethyl)-1H-pyrazole-3-carboxylic acid,
1198437-47-6,
SCHEMBL1431755,
CUOWNWHOEBDREB-UHFFFAOYSA-N,
MFCD20660475,
STL415388,
ZINC83823375,
AKOS017531596,
KS-9179,
MCULE-4671254264,
1-(2-Fluoro-ethyl)-1H-pyrazole-3-carboxylic acid,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.132g/mol |
| Monoisotopic Mass | 158.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number