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54839-12-2

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Basic Information
CAS No.: 54839-12-2
Name: 1-(4-chlorophenyl)-2-cyclopropylethanone
Article Data: 4
Molecular Structure:
Molecular Structure of 54839-12-2 (1-(4-chlorophenyl)-2-cyclopropylethanone)
Formula: C11H11ClO
Molecular Weight: 194.661
Synonyms: 1-(4-Chlorophenyl)-2-cyclopropylethanone;
Density: 1.2 g/cm3
Boiling Point: 302.8 °C at 760 mmHg
Flash Point: 154.2 °C
PSA: 17.07000
LogP: 3.32280
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  • Ethanone, 1-(4-chlorophenyl)-2-cyclopropyl-

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  • 1-(4-chlorophenyl)-2-cyclopropylethanone

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    1-(4-chlorophenyl)-2-cyclopropylethanone

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Specification

The CAS registry number of Ethanone, 1-(4-chlorophenyl)-2-cyclopropyl- is 54839-12-2. Its molecular formula is C11H11ClO and molecular weight is 194.6574. Its systematic name is called 1-(4-chlorophenyl)-2-cyclopropylethanone.

Physical properties about Ethanone, 1-(4-chlorophenyl)-2-cyclopropyl- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 173.2; (6)ACD/BCF (pH 7.4): 173.2; (7)ACD/KOC (pH 5.5): 1393.04; (8)ACD/KOC (pH 7.4): 1393.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 53.02 cm3; (14)Molar Volume: 162.1 cm3; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 154.2 °C; (18)Enthalpy of Vaporization: 54.31 kJ/mol; (19)Boiling Point: 302.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000966 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC1CC1)c2ccc(Cl)cc2
(2)InChI: InChI=1/C11H11ClO/c12-10-5-3-9(4-6-10)11(13)7-8-1-2-8/h3-6,8H,1-2,7H2
(3)InChIKey: QKCYUBJJPXLRFJ-UHFFFAOYAM