| CAS Number | 1401727-16-9 |
| Catalog Number | AG01BBHJ(AGN-PC-0WBER2) |
| Chemical Name | 1-(2-fluoroethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-fluoroethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C6H7FN2O2/c7-1-2-9-4-5(3-8-9)6(10)11/h3-4H,1-2H2,(H,10,11) |
| InChI Key | BDCXXWQWUCDYSQ-UHFFFAOYSA-N |
| MDL Number | MFCD23130720 |
| Molecular Formula | C6H7FN2O2 |
| Molecular Weight | 158.1304 |
| SMILES | OC(C1=CN(CCF)N=C1)=O |
| Synonyms | 1-(2-fluoroethyl)-1H-pyrazole-4-carboxylic acid,
1401727-16-9,
SCHEMBL12804394,
BDCXXWQWUCDYSQ-UHFFFAOYSA-N,
MFCD23130720,
ZINC87776011,
AKOS019261079,
KS-9055,
SB13874,
1-(2-Fluoro-ethyl)-1H-pyrazole-4-carboxylic acid,
Z2096088803,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number