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114420-56-3

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Basic Information
CAS No.: 114420-56-3
Name: CLODINAFOP
Article Data: 15
Molecular Structure:
Molecular Structure of 114420-56-3 (CLODINAFOP)
Formula: C14H11ClFNO4
Molecular Weight: 311.697
Synonyms: Propanoicacid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, (R)-;CGA 193469;Clodinafop;(2R)-2-[4-(5-Chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid;
Density: 1.407 g/cm3
Melting Point: 211-212℃
Boiling Point: 410.2 °C at 760 mmHg
Flash Point: 201.9 °C
PSA: 68.65000
LogP: 3.51830
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Specification

The Propanoic acid,2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, (2R)-, with the CAS registry number 114420-56-3, is also known as Clodinafop. This chemical's molecular formula is C14H11ClFNO4 and molecular weight is 311.69. What's more, its systematic name is (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid. Its storage temperature is 0 - 6°C.

Physical properties of Propanoic acid,2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, (2R)- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.57; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.65 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 73.14 cm3; (15)Molar Volume: 221.4 cm3; (16)Polarizability: 28.99×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 201.9 °C; (20)Enthalpy of Vaporization: 69.85 kJ/mol; (21)Boiling Point: 410.2 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl
(2)Isomeric SMILES: C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl
(3)InChI: InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
(4)InChIKey: YUIKUTLBPMDDNQ-MRVPVSSYSA-N