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5326-94-3

Basic Information
CAS No.: 5326-94-3
Name: 2-bromo-N-(2-nitrophenyl)acetamide
Article Data: 17
Molecular Structure:
Molecular Structure of 5326-94-3 (2-bromo-N-(2-nitrophenyl)acetamide)
Formula: C8H7BrN2O3
Molecular Weight: 259.059
Synonyms: 2-Bromo-N-(2-nitrophenyl)acetamide;2-bromo-N-(2-nitrophenyl)acetamide;
Density: 1.755 g/cm3
Melting Point: 74 °C(Solv: ethanol (64-17-5))
Boiling Point: 431.1 °C at 760 mmHg
Flash Point: 214.5 °C
PSA: 74.92000
LogP: 2.52440
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  • 2-bromo-N-(2-nitrophenyl)acetamide CAS NO.5326-94-3  CAS NO.5326-94-3

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Specification

The Acetamide,2-bromo-N-(2-nitrophenyl)-, with the CAS registry number 5326-94-3, has the systematic name of 2-bromo-N-(2-nitrophenyl)acetamide. It should be stored in the dry and cool environment. And the molecular formula of this chemical is C8H7BrN2O3.

The physical properties of Acetamide,2-bromo-N-(2-nitrophenyl)- are as following: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.665; (8)Molar Refractivity: 54.8 cm3; (9)Molar Volume: 147.5 cm3; (10)Polarizability: 21.72×10-24cm3; (11)Surface Tension: 64.8 dyne/cm; (12)Density: 1.755 g/cm3; (13)Flash Point: 214.5 °C; (14)Enthalpy of Vaporization: 68.67 kJ/mol; (15)Boiling Point: 431.1 °C at 760 mmHg; (16)Vapour Pressure: 1.23E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1[N+]([O-])=O)CBr
(2)InChI: InChI=1/C8H7BrN2O3/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14/h1-4H,5H2,(H,10,12)
(3)InChIKey: MDQWPKGGEFPESZ-UHFFFAOYAW