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CAS No.: | 84803-52-1 |
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Name: | N-(2-chloro-6-nitrophenyl)-N-phenylacetamide |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C14H11ClN2O3 |
Molecular Weight: | 290.706 |
Synonyms: | N-(2-chloro-6-nitrophenyl)-N-phenylacetamide;N-(2-Chloro-6-nitrophenyl)-N-phenylacetamide; |
EINECS: | 284-178-7 |
Density: | 1.374 g/cm3 |
Boiling Point: | 498 °C at 760 mmHg |
Flash Point: | 255 °C |
PSA: | 66.13000 |
LogP: | 4.45600 |
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The Acetamide,N-(2-chloro-6-nitrophenyl)-N-phenyl-, with the CAS registry number 84803-52-1 and EINECS registry number 284-178-7, has the systematic name of N-(2-chloro-6-nitrophenyl)-N-phenylacetamide. And the molecular formula of this chemical is C14H11ClN2O3.
The physical properties of Acetamide,N-(2-chloro-6-nitrophenyl)-N-phenyl- are as following: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.34; (6)ACD/BCF (pH 7.4): 44.34; (7)ACD/KOC (pH 5.5): 525.28; (8)ACD/KOC (pH 7.4): 525.28; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 76.43 cm3; (15)Molar Volume: 211.4 cm3; (16)Polarizability: 30.3×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.374 g/cm3; (19)Flash Point: 255 °C; (20)Enthalpy of Vaporization: 76.61 kJ/mol; (21)Boiling Point: 498 °C at 760 mmHg; (22)Vapour Pressure: 4.7E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc(c2N(C(=O)C)c1ccccc1)[N+]([O-])=O
(2)InChI: InChI=1/C14H11ClN2O3/c1-10(18)16(11-6-3-2-4-7-11)14-12(15)8-5-9-13(14)17(19)20/h2-9H,1H3
(3)InChIKey: DLXYWZMHUVVOFZ-UHFFFAOYAG