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68523-18-2

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Basic Information
CAS No.: 68523-18-2
Name: FENPYRITHRIN
Molecular Structure:
Molecular Structure of 68523-18-2 (FENPYRITHRIN)
Formula: C21H18Cl2N2O3
Molecular Weight: 417.29
Synonyms: Cyclopropanecarboxylic acid,3-(2,2-dichloroethenyl)-2,2-dimethyl-,cyano(6-phenoxy-2-pyridinyl)methyl ester;
Density: 1.362 g/cm3
Boiling Point: 518.8 °C at 760 mmHg
Flash Point: 267.5 °C
PSA: 72.21000
LogP: 5.57298
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  • Dowco 417

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    68523-18-2

    Dowco 417

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Specification

The CAS registry number of Dowco 417 is 68523-18-2. This chemical is also named as Fenpirithrin [ANSI]. In addition, its molecular formula is C21H18Cl2N2O3 and molecular weight is 417.29. Its IUPAC name is called [cyano-(6-phenoxypyridin-2-yl)methyl]3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Physical properties about Dowco 417 are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.45; (5)ACD/BCF (pH 5.5): 1422.24; (6)ACD/BCF (pH 7.4): 1422.24; (7)ACD/KOC (pH 5.5): 6287.77; (8)ACD/KOC (pH 7.4): 6287.77; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 108.33 cm3; (14)Molar Volume: 306.3 cm3; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.362 g/cm3; (17)Flash Point: 267.5 °C; (18)Enthalpy of Vaporization: 79.14 kJ/mol; (19)Boiling Point: 518.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(Cl)=C\C3C(C)(C)C3C(=O)OC(C#N)c2nc(Oc1ccccc1)ccc2
(2)InChI: InChI=1/C21H18Cl2N2O3/c1-21(2)14(11-17(22)23)19(21)20(26)28-16(12-24)15-9-6-10-18(25-15)27-13-7-4-3-5-8-13/h3-11,14,16,19H,1-2H3
(3)InChIKey: IHVPAVRHNZFQKC-UHFFFAOYAE