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911228-76-7

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Basic Information
CAS No.: 911228-76-7
Name: N,N-diethyl-3-hydroxy-4-iodobenzaMide
Article Data: 5
Molecular Structure:
Molecular Structure of 911228-76-7 (N,N-diethyl-3-hydroxy-4-iodobenzaMide)
Formula: C11H14INO2
Molecular Weight: 319.142
Synonyms: 3-Hydroxy- 4-iodo-N,N-diethyl benzamide;
Density: 1.61 g/cm3
Boiling Point: 378.531 °C at 760 mmHg
Flash Point: 182.729 °C
PSA: 40.54000
LogP: 2.47880
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Specification

The N,N-Diethyl-3-hydroxy-4-iodobenzamide, with the CAS registry number 911228-76-7, is also known as 3-Hydroxy- 4-iodo-N,N-diethyl benzamide. This chemical's molecular formula is C11H14INO2 and molecular weight is 319.14. What's more, its systematic name is N,N-Diethyl-3-hydroxy-4-iodobenzamide.

Physical properties of N,N-Diethyl-3-hydroxy-4-iodobenzamide are: (1)ACD/LogP: 2.883; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 91.04; (6)ACD/BCF (pH 7.4): 69.95; (7)ACD/KOC (pH 5.5): 878.14; (8)ACD/KOC (pH 7.4): 674.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 68.689 cm3; (15)Molar Volume: 198.24 cm3; (16)Polarizability: 27.23×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 182.729 °C; (20)Enthalpy of Vaporization: 65.099 kJ/mol; (21)Boiling Point: 378.531 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1O)C(=O)N(CC)CC
(2)Std. InChI:InChI=1S/C11H14INO2/c1-3-13(4-2)11(15)8-5-6-9(12)10(14)7-8/h5-7,14H,3-4H2,1-2H3
(3)Std. InChIKey:TWESKHRGMRVGFR-UHFFFAOYSA-N