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633327-49-8

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Basic Information
CAS No.: 633327-49-8
Name: N-(5-Fluoro-2-methyl-4-nitrophenyl)acetamide
Article Data: 4
Molecular Structure:
Molecular Structure of 633327-49-8 (N-(5-Fluoro-2-methyl-4-nitrophenyl)acetamide)
Formula: C9H9FN2O3
Molecular Weight: 212.18
Synonyms: Acetamide, N-(5-fluoro-2-methyl-4-nitrophenyl)-;N-(5-Fluoro-2-methyl-4-nitrophenyl)acetamide;LogP
Density: 1.370g/cm3
Boiling Point: 393 °C at 760 mmHg
Flash Point: 191.5 °C
PSA: 78.41000
LogP: 3.17340
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Specification

The N-(5-Fluoro-2-methyl-4-nitrophenyl)acetamide, with CAS registry number 633327-49-8, has the systematic name of N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide. Besides this, it is also called Acetamide, N-(5-fluoro-2-methyl-4-nitrophenyl)-. And the chemical formula of this chemical is C9H9FN2O3.

Physical properties of N-(5-Fluoro-2-methyl-4-nitrophenyl)acetamide: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.46; (6)ACD/BCF (pH 7.4): 35.46; (7)ACD/KOC (pH 5.5): 447.63; (8)ACD/KOC (pH 7.4): 447.63; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.92 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 51.88 cm3; (15)Molar Volume: 154.8 cm3; (16)Polarizability: 20.57×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Enthalpy of Vaporization: 64.28 kJ/mol; (19)Vapour Pressure: 2.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(C)c(cc1F)NC(C)=O
(2)InChI: InChI=1/C9H9FN2O3/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: BTNOAOHDOCQLOG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H9FN2O3/c1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)
(5)Std. InChIKey: BTNOAOHDOCQLOG-UHFFFAOYSA-N