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GW 4064

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Name

GW 4064

EINECS N/A
CAS No. 278779-30-9 Density 1.367 g/cm3
PSA 72.56000 LogP 8.87280
Solubility N/A Melting Point N/A
Formula C28H22Cl3NO4 Boiling Point 702.054 °C at 760 mmHg
Molecular Weight 542.846 Flash Point 378.389 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes  Xn:Harmful;
Molecular Structure Molecular Structure of 278779-30-9 (GW 4064) Hazard Symbols HarmfulXn
Synonyms

GW 4064;

Article Data 3

GW 4064 Specification

The GW 4064 with cas registry number of 278779-30-9, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals. Its systematic name and its IUPAC name are the same, which is 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 9.02; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 75807; (6)ACD/BCF (pH 7.4): 2168; (7)ACD/KOC (pH 5.5): 44924; (8)ACD/KOC (pH 7.4): 1285; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.56 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 145.596 cm3; (15)Molar Volume: 397.102 cm3; (16)Polarizability: 57.719×10-24cm3; (17)Surface Tension: 54.114 dyne/cm; (18)Enthalpy of Vaporization: 107.897 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The GW 4064 is harmful if swallowed and it is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(c1)\C=C\c4ccc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)cc4Cl
(2)InChI: InChI=1/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
(3)InChIKey: BYTNEISLBIENSA-MDZDMXLPBU
(4)Std. InChI: InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
(5)Std. InChIKey: BYTNEISLBIENSA-MDZDMXLPSA-N

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