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3-Chloro-N-(4-nitrophenyl)benzamide

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Name

3-Chloro-N-(4-nitrophenyl)benzamide

EINECS N/A
CAS No. 71267-16-8 Density 1.440g/cm3
PSA 74.92000 LogP 4.09670
Solubility N/A Melting Point N/A
Formula C13H9ClN2O3 Boiling Point 367.5 °C at 760 mmHg
Molecular Weight 276.679 Flash Point 176 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71267-16-8 (3-Chloro-N-(4-nitrophenyl)benzamide) Hazard Symbols N/A
Synonyms

benzamide, 3-chloro-N-(4-nitrophenyl)-;

Article Data 8

3-Chloro-N-(4-nitrophenyl)benzamide Specification

The 3-Chloro-N-(4-nitrophenyl)benzamide with cas registry number of 71267-16-8, has the systematic name of 3-chloro-N-(4-nitrophenyl)benzamide. And it is also named benzamide, 3-chloro-N-(4-nitrophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 457.77; (6)ACD/BCF (pH 7.4): 457.75; (7)ACD/KOC (pH 5.5): 2793.14; (8)ACD/KOC (pH 7.4): 2793.03; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 72.26 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 28.64×10-24cm3; (17)Surface Tension: 61.6 dyne/cm; (18)Enthalpy of Vaporization: 61.4 kJ/mol; (19)Vapour Pressure: 1.36E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(c1cc(Cl)ccc1)Nc2ccc([N+]([O-])=O)cc2;
(2)InChI: InChI=1/C13H9ClN2O3/c14-10-3-1-2-9(8-10)13(17)15-11-4-6-12(7-5-11)16(18)19/h1-8H,(H,15,17);
(3)InChIKey: CVTNPYYWMAHISD-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C13H9ClN2O3/c14-10-3-1-2-9(8-10)13(17)15-11-4-6-12(7-5-11)16(18)19/h1-8H,(H,15,17);
(5)Std. InChIKey: CVTNPYYWMAHISD-UHFFFAOYSA-N

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