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Basic Information
CAS No.: 105443-49-0
Name: 2-chloro-4-propylacetophenone
Molecular Structure:
Molecular Structure of 105443-49-0 (2-chloro-4-propylacetophenone)
Formula: C11H13ClO
Molecular Weight: 196.677
Synonyms: 2-Chloro-1-(4-propylphenyl)ethanone;2-Chloro-4-propylacetophenone;
Density: 1.082 g/cm3
Boiling Point: 300.1 °C at 760 mmHg
Flash Point: 160.6 °C
PSA: 17.07000
LogP: 3.06060
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Specification

The Ethanone,2-chloro-1-(4-propylphenyl)-, with the CAS registry number 105443-49-0, is also known as 2-Chloro-4-propylacetophenone. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C11H13ClO and molecular weight is 196.67. What's more, its systematic name is 2-chloro-1-(4-propylphenyl)ethanone.

Physical properties of Ethanone,2-chloro-1-(4-propylphenyl)- are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 55.31 cm3; (9)Molar Volume: 181.6 cm3; (10)Polarizability: 21.92×10-24cm3; (11)Surface Tension: 36.7 dyne/cm; (12)Density: 1.082 g/cm3; (13)Flash Point: 160.6 °C; (14)Enthalpy of Vaporization: 54.01 kJ/mol; (15)Boiling Point: 300.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)CCl
(2)InChI: InChI=1S/C11H13ClO/c1-2-3-9-4-6-10(7-5-9)11(13)8-12/h4-7H,2-3,8H2,1H3
(3)InChIKey: HGGGYHSECBWQGE-UHFFFAOYSA-N