CAS No.20043-88-3,alpha-(4-Methoxybenzoyl)-2-chloro-4-nitroacetanilide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20043-88-3
Name:	alpha-(4-Methoxybenzoyl)-2-chloro-4-nitroacetanilide

Formula:	C₁₆H₁₃ClN₂O₅
Molecular Weight:	348.74
Synonyms:	Acetanilide,2-p-anisoyl-2'-chloro-4'-nitro- (8CI);
Density:	1.416 g/cm³
Boiling Point:	603.2 °C at 760 mmHg
Flash Point:	318.6 °C
PSA:	101.22000
LogP:	4.06450

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Specification

The alpha-(4-Methoxybenzoyl)-2-chloro-4-nitroacetanilide, with CAS registry number 20043-88-3, has the systematic name of benzenepropanamide, N-(2-chloro-4-nitrophenyl)-4-methoxy-β-oxo-. Besides this, it is also called N-(2-Chloro-4-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide. And the chemical formula of this chemical is C₁₆H₁₃ClN₂O₅.

Physical properties of alpha-(4-Methoxybenzoyl)-2-chloro-4-nitroacetanilide: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 271.5; (6)ACD/BCF (pH 7.4): 268.13; (7)ACD/KOC (pH 5.5): 1921.66; (8)ACD/KOC (pH 7.4): 1897.82; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 101.22 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 88.24 cm³; (15)Molar Volume: 246.2 cm³; (16)Polarizability: 34.98×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Enthalpy of Vaporization: 89.73 kJ/mol; (19)Vapour Pressure: 1.66E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)C(=O)CC(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C16H13ClN2O5/c1-24-12-5-2-10(3-6-12)15(20)9-16(21)18-14-7-4-11(19(22)23)8-13(14)17/h2-8H,9H2,1H3,(H,18,21)
(3)InChIKey: BNHPCIZXJFGDSL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H13ClN2O5/c1-24-12-5-2-10(3-6-12)15(20)9-16(21)18-14-7-4-11(19(22)23)8-13(14)17/h2-8H,9H2,1H3,(H,18,21)
(5)Std. InChIKey: BNHPCIZXJFGDSL-UHFFFAOYSA-N