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20821-91-4

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Basic Information
CAS No.: 20821-91-4
Name: N-(2-Benzoyl-4-nitrophenyl)-2-chloroacetamide
Article Data: 4
Molecular Structure:
Molecular Structure of 20821-91-4 (N-(2-Benzoyl-4-nitrophenyl)-2-chloroacetamide)
Formula: C15H11ClN2O4
Molecular Weight: 318.716
Synonyms: N-(2-benzoyl-4-nitro-phenyl)-2-chloro-acetamide;
EINECS: 244-062-9
Density: 1.423 g/cm3
Melting Point: 176 °C(Solv: ethanol (64-17-5))
Boiling Point: 581 °C at 760 mmHg
Flash Point: 305.2 °C
PSA: 95.48000
LogP: 4.17580
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Specification

The N-(2-Benzoyl-4-nitrophenyl)-2-chloroacetamide is an organic compound with the formula C15H11ClN2O4. The IUPAC name of this chemical is N-(2-benzoyl-4-nitrophenyl)-2-chloroacetamide. With the CAS registry number 20821-91-4, it is also named as acetamide, N-(2-benzoyl-4-nitrophenyl)-2-chloro-.

Physical properties about N-(2-Benzoyl-4-nitrophenyl)-2-chloroacetamide are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 4.39; (3)ACD/LogD (pH 7.4): 4.39; (4)ACD/BCF (pH 5.5): 1273.71; (5)ACD/BCF (pH 7.4): 1273.46; (6)ACD/KOC (pH 5.5): 5810.43; (7)ACD/KOC (pH 7.4): 5809.29; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 83.2 Å2; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 81.71 cm3; (14)Molar Volume: 223.8 cm3; (15)Polarizability: 32.39×10-24cm3; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.423 g/cm3; (18)Flash Point: 305.2 °C; (19)Enthalpy of Vaporization: 86.9 kJ/mol; (20)Boiling Point: 581 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccc(cc2C(=O)c1ccccc1)[N+]([O-])=O)CCl
(2)InChI: InChI=1/C15H11ClN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)
(3)InChIKey: ZHJLHAOWFYEIOC-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H11ClN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)
(5)Std. InChIKey: ZHJLHAOWFYEIOC-UHFFFAOYSA-N