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698394-60-4

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Basic Information
CAS No.: 698394-60-4
Name: 2-Bromo-1-(4-ethylphenyl)-2-methylpropan-1-one
Article Data: 4
Molecular Structure:
Molecular Structure of 698394-60-4 (2-Bromo-1-(4-ethylphenyl)-2-methylpropan-1-one)
Formula: C12H15BrO
Molecular Weight: 255.155
Synonyms: 2-Brom-1-(4-ethylphenyl)-2-methylpropan-1-on;
Density: 1.275 g/cm3
Boiling Point: 308.3 °C at 760 mmHg
Flash Point: 38.5 °C
PSA: 17.07000
LogP: 3.60520
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Specification

The 2-Bromo-1-(4-ethylphenyl)-2-methylpropan-1-one, with the CAS registry number 698394-60-4, is also known as 2-Brom-1-(4-ethylphenyl)-2-methylpropan-1-on. This chemical's molecular formula is C12H15BrO and molecular weight is 255.15. What's more, its systematic name is 2-Bromo-1-(4-ethylphenyl)-2-methyl-propan-1-one.

Physical properties about 2-Bromo-1-(4-ethylphenyl)-2-methylpropan-1-one are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.54; (10)Molar Refractivity: 62.79 cm3; (11)Molar Volume: 200 cm3; (12)Polarizability: 24.89×10-24 cm3; (13)Surface Tension: 37.7 dyne/cm; (14)Density: 1.275 g/cm3; (15)Flash Point: 38.5 °C; (16)Enthalpy of Vaporization: 54.9 kJ/mol; (17)Boiling Point: 308.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000687 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCc1ccc(cc1)C(=O)C(C)(C)Br
(2) InChI: InChI=1/C12H15BrO/c1-4-9-5-7-10(8-6-9)11(14)12(2,3)13/h5-8H,4H2,1-3H3
(3) InChIKey: FRLPHWVDHFBDQG-UHFFFAOYAY