| CAS Number | 154258-78-3 |
| Catalog Number | AG01EHSK(AGN-PC-0WNO93) |
| Chemical Name | 5-(3-chloro-4-fluorophenyl)-1H-pyrazole |
| IUPAC Name | 5-(3-chloro-4-fluorophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H6ClFN2/c10-7-5-6(1-2-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13) |
| InChI Key | HAQBLHVFDMXYPZ-UHFFFAOYSA-N |
| MDL Number | MFCD03407968 |
| Molecular Formula | C9H6ClFN2 |
| Molecular Weight | 196.6087 |
| SMILES | FC1=C(Cl)C=C(C2NN=CC=2)C=C1 |
| Synonyms | 5-(3-chloro-4-fluorophenyl)-1H-pyrazole,
3-(3-chloro-4-fluorophenyl)-1H-pyrazole,
154258-78-3,
MFCD09860598,
ZINC42415011,
AKOS010654538,
AKOS026729190,
AS-9459,
MCULE-5734519494,
NE33053,
Z1333761449,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.609g/mol |
| Monoisotopic Mass | 196.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number