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Basic Information
CAS No.: 71283-65-3
Name: Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Molecular Structure:
Molecular Structure of 71283-65-3 (Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate)
Formula: C16H14Cl2O4
Molecular Weight: 341.191
Synonyms: Propanoicacid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (R)-;(+)-Diclofop-methyl;(R)-(+)-Diclofop-methyl;(R)-Diclofop-methyl;Diclofop-P-methyl;
Density: 1.305 g/cm3
Boiling Point: 408 °C at 760 mmHg
Flash Point: 150.3 °C
PSA: 44.76000
LogP: 4.72600
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Specification

The Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate, with the cas registry number 71283-65-3, is also called propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (2R)-. And the molecular formula of the chemical is C16H14Cl2O4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 981.09; (6)ACD/BCF (pH 7.4): 981.09; (7)ACD/KOC (pH 5.5): 4820.21; (8)ACD/KOC (pH 7.4): 4820.21; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 84.79 cm3; (15)Molar Volume: 261.3 cm3; (16)Polarizability: 33.61×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.305 g/cm3; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 65.99 kJ/mol; (21)Boiling Point: 408 °C at 760 mmHg; (22)Vapour Pressure: 7.24E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2Oc1ccc(O[C@@H](C(=O)OC)C)cc1
(2)InChI: InChI=1/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m1/s1
(3)InChIKey: BACHBFVBHLGWSL-SNVBAGLBBU