| CAS Number | 288252-73-3 |
| Catalog Number | AG00C3HH(AGN-PC-0WBOGE) |
| Chemical Name | Ethyl 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate |
| IUPAC Name | ethyl 1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C13H13FN2O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3 |
| InChI Key | JYHUUEYONFRPMV-UHFFFAOYSA-N |
| MDL Number | MFCD04122750 |
| Molecular Formula | C13H13FN2O2 |
| Molecular Weight | 248.2529 |
| SMILES | CCOC(=O)c1cnn(c1C)c1ccc(cc1)F |
| Synonyms | ETHYL 1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE,
288252-73-3,
ethyl 1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylate,
AC1MTRLC,
SCHEMBL6052641,
CTK6F7237,
JYHUUEYONFRPMV-UHFFFAOYSA-N,
ZINC2532521,
MFCD04122750,
SBB100409,
AKOS009228246,
MCULE-9286211007,
K-7102,
Ethyl-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate,
CID3654436,
Ethyl 1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxylate,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.257g/mol |
| Monoisotopic Mass | 248.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number