fipronil
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
| Molecular Formula | C12H4Cl2F6N4OS |
|---|---|
| Molecular Weight | 437.1 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 104.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.93872 |
| Heavy Atoms | 26 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 120068-37-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F |
| InChIKey | ZOCSXAVNDGMNBV-UHFFFAOYSA-N |
📖 Product Overview
fipronil (CAS: 120068-37-3) is a chemical compound with molecular formula C12H4Cl2F6N4OS and molecular weight 437.1 g/mol. Its IUPAC systematic name is 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile.
ZOCSXAVNDGMNBV-UHFFFAOYSA-N.
SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F.
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