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Basic Information
CAS No.: 6505-75-5
Name: Benzamide,N-(3-chlorophenyl)-2-hydroxy-5-nitro-
Molecular Structure:
Molecular Structure of 6505-75-5 (Benzamide,N-(3-chlorophenyl)-2-hydroxy-5-nitro-)
Formula: C13H9ClN2O4
Molecular Weight: 292.678
Synonyms: Salicylanilide,3'-chloro-5-nitro- (6CI,7CI,8CI);NSC 27096;
Density: 1.536g/cm3
Boiling Point: 407.2 °C at 760 mmHg
Flash Point: 200.1 °C
PSA: 95.15000
LogP: 3.80230
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Specification

The 3'-Chloro-5-nitrosalicylanilide, with CAS registry number 6505-75-5, has the systematic name of N-(3-chlorophenyl)-2-hydroxy-5-nitrobenzamide. And its IUPAC name is the same one. And the chemical formula of this chemical is C13H9ClN2O4.

Physical properties of 3'-Chloro-5-nitrosalicylanilide: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 1097.51; (6)ACD/BCF (pH 7.4): 29.95; (7)ACD/KOC (pH 5.5): 4342.08; (8)ACD/KOC (pH 7.4): 118.48; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 74.15 cm3; (15)Molar Volume: 190.5 cm3; (16)Polarizability: 29.39×10-24cm3; (17)Surface Tension: 71.1 dyne/cm; (18)Enthalpy of Vaporization: 68.47 kJ/mol; (19)Vapour Pressure: 3.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(NC(=O)c1cc([N+]([O-])=O)ccc1O)ccc2
(2)InChI: InChI=1/C13H9ClN2O4/c14-8-2-1-3-9(6-8)15-13(18)11-7-10(16(19)20)4-5-12(11)17/h1-7,17H,(H,15,18)
(3)InChIKey: IQYMVVCMLCXPEU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H9ClN2O4/c14-8-2-1-3-9(6-8)15-13(18)11-7-10(16(19)20)4-5-12(11)17/h1-7,17H,(H,15,18)
(5)Std. InChIKey: IQYMVVCMLCXPEU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   National Technical Information Service. Vol. AD610-947,
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00478,
mouse LDLo oral 710mg/kg (710mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.