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54321-80-1

Basic Information
CAS No.: 54321-80-1
Name: 3-BROMO-5-NITROBENZAMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 54321-80-1 (3-BROMO-5-NITROBENZAMIDE)
Formula: C7H5BrN2O3
Molecular Weight: 245.032
Synonyms: 3-Bromo-5-nitrobenzamide;
Density: 1.799 g/cm3
Boiling Point: 311.1 °C at 760 mmHg
Flash Point: 141.9 °C
Hazard Symbols: IrritantXi
PSA: 88.91000
LogP: 2.67970
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Specification

The Benzamide,3-bromo-5-nitro-, with the CAS registry number 54321-80-1, is also known as 3-Bromo-5-nitrobenzamide. It belongs to the product categories of blocks; Carboxes. This chemical's molecular formula is C7H5BrN2O3 and molecular weight is 245.03. When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.

Physical properties about Benzamide,3-bromo-5-nitro- are: (1)ACD/LogP: 1.39; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 49.41 cm3; (9)Molar Volume: 136.1 cm3; (10)Surface Tension: 65.7 dyne/cm; (11)Density: 1.799 g/cm3; (12)Flash Point: 141.9 °C; (13)Enthalpy of Vaporization: 55.2 kJ/mol; (14)Boiling Point: 311.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000576 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(cc(Br)c1)C(=O)N
(2) InChI: InChI=1/C7H5BrN2O3/c8-5-1-4(7(9)11)2-6(3-5)10(12)13/h1-3H,(H2,9,11)
(3) InChIKey: WNYWPPUDAKYNIZ-UHFFFAOYAN