D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester (102851-06-9)

The D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester, with CAS registry number 102851-06-9, belongs to the following product category: Insecticide. It has the systematic name of cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valinate. And its classification code is Pesticide.

Physical properties of D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester: (1)ACD/LogP: 7.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.31; (4)ACD/LogD (pH 7.4): 7.31; (5)ACD/BCF (pH 5.5): 212947.64; (6)ACD/BCF (pH 7.4): 212947.64; (7)ACD/KOC (pH 5.5): 226753.06; (8)ACD/KOC (pH 7.4): 226753.06; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 62.56 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 126.07 cm³; (15)Molar Volume: 383 cm³; (16)Polarizability: 49.97×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 85.03 kJ/mol; (19)Vapour Pressure: 7.71E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester is harmful if swallowed. It irritates to skins, so avoid contact with skin. This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When use it, avoid release to the environment. Refer to special instructions / safety data sheets. Refer to manufacturer / supplier for information on recovery / recycling.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc(ccc3N[C@@H](C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F
(2)InChI: InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
(3)InChIKey: INISTDXBRIBGOC-XMMISQBUBP
(4)Std. InChI: InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
(5)Std. InChIKey: INISTDXBRIBGOC-XMMISQBUSA-N