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PNU120596

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Name

PNU120596

EINECS N/A
CAS No. 501925-31-1 Density 1.403 g/cm3
PSA 85.62000 LogP 3.44360
Solubility N/A Melting Point N/A
Formula C13H14ClN3O4 Boiling Point 385 °C at 760 mmHg
Molecular Weight 311.72 Flash Point 186.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 501925-31-1 (N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA) Hazard Symbols N/A
Synonyms

1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea;1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea;PNU 120596;NSC 216666;

Article Data 2

PNU120596 Specification

The Urea, N-(5-chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-, with the CAS registry number 501925-31-1, is also known as 1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea. This chemical's molecular formula is C13H14ClN3O4 and molecular weight is 311.72. What's more, its systematic name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea. 

Physical properties of Urea, N-(5-chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 68.04 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 78.54 cm3; (9)Molar Volume: 222.1 cm3; (10)Polarizability: 31.13×10-24cm3; (11)Surface Tension: 53.4 dyne/cm; (12)Density: 1.403 g/cm3; (13)Flash Point: 186.6 °C; (14)Enthalpy of Vaporization: 63.37 kJ/mol; (15)Boiling Point: 385 °C at 760 mmHg; (16)Vapour Pressure: 3.94E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1noc(c1)C)Nc2cc(Cl)c(OC)cc2OC
(2)Std. InChI: InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
(3)Std. InChIKey: CEIIEALEIHQDBX-UHFFFAOYSA-N

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