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55411-56-8

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Basic Information
CAS No.: 55411-56-8
Name: SD-160
Article Data: 1
Molecular Structure:
Molecular Structure of 55411-56-8 (SD-160)
Formula: C13H9Cl2NO3
Molecular Weight: 298.125
Synonyms: 3',5'-Dichloro-2,4'-dihydroxybenzanilide;Polyoxypropylene polyoxyethylene butanol ether(PAG);
Density: 1.576 g/cm3
Boiling Point: 383.8 °C at 760 mmHg
Flash Point: 185.9 °C
PSA: 69.56000
LogP: 3.72990
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Specification

The Benzamide,N-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxy-, with the CAS registry number 55411-56-8, is also known as SD 170. This chemical's molecular formula is C13H9Cl2NO3 and molecular weight is 298.12. What's more, its systematic name is N-(3,5-Dichloro-4-hydroxyphenyl)-3-hydroxybenzamide. Its classification code is Drug / Therapeutic Agent. 

Physical properties of Benzamide,N-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxy- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 396.54; (6)ACD/BCF (pH 7.4): 163.6; (7)ACD/KOC (pH 5.5): 2507.59; (8)ACD/KOC (pH 7.4): 1034.54; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 74.38 cm3; (15)Molar Volume: 189 cm3; (16)Polarizability: 29.48×10-24 cm3; (17)Surface Tension: 70.9 dyne/cm; (18)Density: 1.576 g/cm3; (19)Flash Point: 185.9 °C; (20)Enthalpy of Vaporization: 65.71 kJ/mol; (21)Boiling Point: 383.8 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES:Clc1cc(cc(Cl)c1O)NC(=O)c2cccc(O)c2
(2)InChI: InChI=1S/C13H9Cl2NO3/c14-10-5-8(6-11(15)12(10)18)16-13(19)7-2-1-3-9(17)4-7/h1-6,17-18H,(H,16,19)
(3)InChIKey: ZYIZNUYMGIICGZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2400mg/kg (2400mg/kg)   United States Patent Document. Vol. #4072753