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57556-49-7

Basic Information
CAS No.: 57556-49-7
Name: N1-(4-AMINO-2-CHLOROPHENYL)ACETAMIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 57556-49-7 (N1-(4-AMINO-2-CHLOROPHENYL)ACETAMIDE)
Formula: C8H9ClN2O
Molecular Weight: 184.625
Synonyms: 4-Amino-2-chloro acetanilide;
Density: 1.35 g/cm3
Melting Point: 131-133 °C
Boiling Point: 294.9 °C at 760 mmHg
Flash Point: 132.1 °C
Hazard Symbols: IrritantXi
PSA: 55.12000
LogP: 2.53480
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Specification

The N-(4-Amino-2-chlorophenyl)acetamide, with the CAS registry number of 57556-49-7, is also known as 4-Amino-2-chloro acetanilide. This chemical's molecular formula is C8H9ClN2O and molecular weight is 184.62. What's more, its systematic name is N-(4-Amino-2-chlorophenyl)acetamide.

Physical properties about the N-(4-Amino-2-chlorophenyl)acetamide are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.53; (6)ACD/BCF (pH 7.4): 1.57; (7)ACD/KOC (pH 5.5): 46.7; (8)ACD/KOC (pH 7.4): 48.06; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 49.65 cm3; (15)Molar Volume: 136.7 cm3; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 132.1 °C; (19)Enthalpy of Vaporization: 53.46 kJ/mol; (20)Boiling Point: 294.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00158 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:Clc1cc(ccc1NC(=O)C)N
(2) InChI:InChI=1/C8H9ClN2O/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,10H2,1H3,(H,11,12)
(3) InChIKey:LWAYASXDHDEGAO-UHFFFAOYAI