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13852-50-1

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Basic Information
CAS No.: 13852-50-1
Name: N-(5-Chloro-2-methyl-4-nitrophenyl)-acetamide
Molecular Structure:
Molecular Structure of 13852-50-1 (N-(5-Chloro-2-methyl-4-nitrophenyl)-acetamide)
Formula: C9H9ClN2O3
Molecular Weight: 228.635
Synonyms: o-Acetotoluidide, 5'-chloro-4'-nitro- (8CI);NSC 201432;N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide;N-{5-Chloro-4-nitro-2-methylphenyl}acetamide;
Density: 1.406 g/cm3
Boiling Point: 416.6 °C at 760 mmHg
Flash Point: 205.7 °C
PSA: 74.92000
LogP: 3.11120
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Specification

The Acetamide, N-(5-chloro-2-methyl-4-nitrophenyl)-, with the CAS registry number 13852-50-1, is also known as N-{5-Chloro-4-nitro-2-methylphenyl}acetamide. This chemical's molecular formula is C9H9ClN2O3 and molecular weight is 228.63. What's more, its systematic name is N-(5-Chloro-2-methyl-4-nitrophenyl)acetamide.

Physical properties of Acetamide, N-(5-chloro-2-methyl-4-nitrophenyl)- are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.25; (6)ACD/BCF (pH 7.4): 59.25; (7)ACD/KOC (pH 5.5): 646.41; (8)ACD/KOC (pH 7.4): 646.41; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 56.79 cm3; (15)Molar Volume: 162.5 cm3; (16)Polarizability: 22.51×10-24 cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 205.7 °C; (20)Enthalpy of Vaporization: 66.98 kJ/mol; (21)Boiling Point: 416.6 °C at 760 mmHg; (22)Vapour Pressure: 3.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1NC(=O)C)Cl)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H9ClN2O3/c1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)
(3)InChIKey: URLGXKCNSXNVOM-UHFFFAOYSA-N