205304-86-5 Purity
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Specification
The molecular formula of Fipronil-carboxamide is C12H6Cl2F6N4O2S.
The molecular weight of Fipronil-carboxamide is 455.2 g/mol.
The IUPAC name of Fipronil-carboxamide is 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide.
The InChI of Fipronil-carboxamide is "InChI=1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)".
The InChIKey of Fipronil-carboxamide is "OPPWTDFHAFPGOT-UHFFFAOYSA-N".
The canonical SMILES of Fipronil-carboxamide is "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F".
The CAS number of Fipronil-carboxamide is 205650-69-7.
The UNII of Fipronil-carboxamide is C8Q2U34I2X.
The hydrogen bond donor count of Fipronil-carboxamide is 2.
Yes, Fipronil-carboxamide is a canonicalized compound.