| CAS Number | 1326810-58-5 |
| Catalog Number | AG00HSP5(AGN-PC-0WNQVN) |
| Chemical Name | Ethyl 5-(2-fluorophenyl)pyrazole-3-carboxylate |
| IUPAC Name | ethyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate |
| InChI | InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15) |
| InChI Key | TYNHZJIRUOFSMO-UHFFFAOYSA-N |
| MDL Number | MFCD09749414 |
| Molecular Formula | C12H11FN2O2 |
| Molecular Weight | 234.2263 |
| SMILES | O=C(C1=CC(C2=CC=CC=C2F)=NN1)OCC |
| Synonyms | 1326810-58-5,
ETHYL 3-(2-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLATE,
ethyl 5-(2-fluorophenyl)-1H-pyrazole-3-carboxylate,
Ethyl 5-(2-fluorophenyl)pyrazole-3-carboxylate,
KS-00001NFG,
ACN-P001033,
MFCD18433845,
ZINC71978729,
AKOS026671162,
AS-42639,
CS-0080276,
Y2924,
5-(2-Fluorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester,
C12H11FN2O2,
N/A,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.23g/mol |
| Monoisotopic Mass | 234.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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