| CAS Number | 1378754-34-7 |
| Catalog Number | AG01C3CG |
| Chemical Name | 1-(2-fluoro-4-nitrophenyl)-3-methyl-1H-pyrazole |
| IUPAC Name | 1-(2-fluoro-4-nitrophenyl)-3-methylpyrazole |
| InChI | InChI=1S/C10H8FN3O2/c1-7-4-5-13(12-7)10-3-2-8(14(15)16)6-9(10)11/h2-6H,1H3 |
| InChI Key | XBOLYRIEQCSFJU-UHFFFAOYSA-N |
| MDL Number | MFCD20570520 |
| Molecular Formula | C10H8FN3O2 |
| Molecular Weight | 221.1878 |
| SMILES | CC1=NN(C2=C(F)C=C([N+]([O-])=O)C=C2)C=C1 |
| Synonyms | 1-(2-fluoro-4-nitrophenyl)-3-methyl-1H-pyrazole,
1378754-34-7,
SCHEMBL2627211,
ZINC80008367,
AKOS013776591,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.191g/mol |
| Monoisotopic Mass | 221.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number