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154486-27-8
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Basic Information
CAS No.: 154486-27-8
Name: Fluroxypyr-butoxypropyl
Molecular Structure:
Molecular Structure of 154486-27-8 (Fluroxypyr-butoxypropyl)
Formula: C14H19Cl2FN2O4
Molecular Weight: 369.22
Synonyms: Aceticacid, [(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 2-butoxy-1-methylethylester (9CI);Fluroxypyr butoxypropyl ester;1-Butoxypropan-2-yl [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate;
Density: 1.322 g/cm3
Melting Point: <25 °C
Boiling Point: 453.692 °C at 760 mmHg
Flash Point: 228.185 °C
PSA: 83.67000
LogP: 3.81810
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Specification

The Fluroxypyr-butoxypropyl with the cas number 154486-27-8 is also called Acetic acid,2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-, 2-butoxy-1-methylethylester. The systematic name is 1-butoxypropan-2-yl [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate. Its molecular formula is C14H19Cl2FN2O4. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3196; (6)ACD/BCF (pH 7.4): 3196; (7)ACD/KOC (pH 5.5): 11226; (8)ACD/KOC (pH 7.4): 11226; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 83.67 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 85.584 cm3; (15)Molar Volume: 279.326 cm3; (16)Polarizability: 33.928×10-24cm3; (17)Surface Tension: 44.847 dyne/cm; (18)Enthalpy of Vaporization: 71.314 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(COCCCC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
(2)InChI: InChI=1/C14H19Cl2FN2O4/c1-3-4-5-21-6-8(2)23-9(20)7-22-14-11(16)12(18)10(15)13(17)19-14/h8H,3-7H2,1-2H3,(H2,18,19)
(3)InChIKey: ZKFARSBUEBZZJT-UHFFFAOYAG