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Acetamide,N-(5-bromo-4-methyl-3-nitro-2-pyridinyl)- (914223-24-8)

Identification
Name:Acetamide,N-(5-bromo-4-methyl-3-nitro-2-pyridinyl)-
Synonyms:N-(4-Bromo-5-methyl-6-nitrophenyl)acetamide;
CAS:914223-24-8
Molecular Formula: C9H9BrN2O3
Molecular Weight: 273.08
InChI: InChI=1/C9H9BrN2O3/c1-5-7(10)3-4-8(11-6(2)13)9(5)12(14)15/h3-4H,1-2H3,(H,11,13)
Molecular Structure: (C9H9BrN2O3) N-(4-Bromo-5-methyl-6-nitrophenyl)acetamide;
Properties
Density:1.636 g/cm3
Refractive index:1.633
Specification:

The cas register number of N-(4-Bromo-5-methyl-6-nitrophenyl)acetamide is 914223-24-8. It also can be called as Acetamide,N-(5-bromo-4-methyl-3-nitro-2-pyridinyl)- and the Systematic name about this chemical is acetamide, N-(4-bromo-3-methyl-2-nitrophenyl)-.

Physical properties about N-(4-Bromo-5-methyl-6-nitrophenyl)acetamide are: (1)ACD/LogP: 2.47; (2)ACD/LogD (pH 5.5): 2.47; (3)ACD/LogD (pH 7.4): 2.47; (4)ACD/BCF (pH 5.5): 44.49; (5)ACD/BCF (pH 7.4): 44.49; (6)ACD/KOC (pH 5.5): 526.54; (7)ACD/KOC (pH 7.4): 526.54; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.92Å2; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 59.58 cm3; (14)Molar Volume: 166.8 cm3; (15)Polarizability: 23.62x10-24cm3; (16)Surface Tension: 55.1 dyne/cm; (17)Enthalpy of Vaporization: 65.58 kJ/mol; (18)Boiling Point: 404.4 °C at 760 mmHg; (19)Vapour Pressure: 9.47E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(c1[N+](=O)[O-])NC(=O)C)Br
(2)InChI: InChI=1/C9H9BrN2O3/c1-5-7(10)3-4-8(11-6(2)13)9(5)12(14)15/h3-4H,1-2H3,(H,11,13)
(3)InChIKey: IXAMFCDBXQSERN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9BrN2O3/c1-5-7(10)3-4-8(11-6(2)13)9(5)12(14)15/h3-4H,1-2H3,(H,11,13)
(5)Std. InChIKey: IXAMFCDBXQSERN-UHFFFAOYSA-N

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