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56207-36-4

Basic Information
CAS No.: 56207-36-4
Name: 2'-METHYL-3'-NITROACETANILIDE
Molecular Structure:
Molecular Structure of 56207-36-4 (2'-METHYL-3'-NITROACETANILIDE)
Formula: C9H10N2O3
Molecular Weight: 194.19
Synonyms: acetamide, N-(2-methyl-3-nitrophenyl)-;N-(2-methyl-3-nitrophenyl)acetamide;
Density: 1.289 g/cm3
Melting Point: 162 °C
Boiling Point: 353.4 °C at 760 mmHg
Flash Point: 167.6 °C
PSA: 74.92000
LogP: 2.45780
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Specification

The Acetamide,N-(2-methyl-3-nitrophenyl)-, with the CAS registry number 56207-36-4, has the systematic name of N-(2-methyl-3-nitrophenyl)acetamide. And the molecular formula of this chemical is C9H10N2O3. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Acetamide,N-(2-methyl-3-nitrophenyl)- are as following: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.25; (6)ACD/BCF (pH 7.4): 17.25; (7)ACD/KOC (pH 5.5): 267.28; (8)ACD/KOC (pH 7.4): 267.28; (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: 1.605; (14)Molar Refractivity: 51.89 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 20.57×10-24cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 167.6 °C; (20)Enthalpy of Vaporization: 59.84 kJ/mol; (21)Boiling Point: 353.4 °C at 760 mmHg; (22)Vapour Pressure: 3.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1C)[N+]([O-])=O)C
(2)InChI: InChI=1/C9H10N2O3/c1-6-8(10-7(2)12)4-3-5-9(6)11(13)14/h3-5H,1-2H3,(H,10,12)
(3)InChIKey: NMYFXIITWKKOKY-UHFFFAOYAL