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Basic Information
CAS No.: 22019-50-7
Name: 2-bromo-3-nitro-4-methylacetophenone
Article Data: 6
Molecular Structure:
Molecular Structure of 22019-50-7 (2-bromo-3-nitro-4-methylacetophenone)
Formula: C9H8BrNO3
Molecular Weight: 258.071
Synonyms: Acetophenone,2-bromo-4'-methyl-3'-nitro- (6CI,8CI);4-Methyl-3-nitrophenacyl bromide;2-Bromo-1-(4-methyl-3-nitrophenyl)ethanone;
Density: 1.59 g/cm3
Boiling Point: 305.3 °C at 760 mmHg
Flash Point: 138.4 °C
PSA: 62.89000
LogP: 3.00400
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Specification

The Ethanone,2-bromo-1-(4-methyl-3-nitrophenyl)-, with the CAS registry number 22019-50-7, is also known as 4-Methyl-3-nitrophenacyl bromide. This chemical's molecular formula is C9H8BrNO3 and molecular weight is 258.07. What's more, its IUPAC name is 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone.

Physical properties of Ethanone,2-bromo-1-(4-methyl-3-nitrophenyl)- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 62.89 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 55.38 cm3; (9)Molar Volume: 162.2 cm3; (10)Polarizability: 21.95×10-24cm3; (11)Surface Tension: 52.9 dyne/cm; (12)Density: 1.59 g/cm3; (13)Flash Point: 138.4 °C; (14)Enthalpy of Vaporization: 54.57 kJ/mol; (15)Boiling Point: 305.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000829 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)C(=O)CBr)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H8BrNO3/c1-6-2-3-7(9(12)5-10)4-8(6)11(13)14/h2-4H,5H2,1H3
(3)InChIKey: DBMCVOBHUPAOMT-UHFFFAOYSA-N