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6048-06-2

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Basic Information
CAS No.: 6048-06-2
Name: ETHYL 4-CHLOROCINNAMATE
Article Data: 50
Molecular Structure:
Molecular Structure of 6048-06-2 (ETHYL 4-CHLOROCINNAMATE)
Formula: C11H11ClO2
Molecular Weight: 210.66
Synonyms: Cinnamicacid, p-chloro-, ethyl ester (6CI,7CI,8CI);3-(4-Chlorophenyl)-2-propenoic acidethyl ester;4-Chlorocinnamic acid ethyl ester;Ethyl3-(4-chlorophenyl)-2-propenoate;Ethyl 4-chlorocinnamate;Ethylp-chlorocinnamate;
Density: 1.177 g/cm3
Boiling Point: 307.9 °C at 760 mmHg
Flash Point: 151.9 °C
PSA: 26.30000
LogP: 2.91630
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Specification

The 2-Propenoic acid,3-(4-chlorophenyl)-, ethyl ester, with CAS registry number 6048-06-2, belongs to the following product categories: Aromatic Cinnamic Acids, Esters and Derivatives. It has the systematic name of ethyl (2E)-3-(4-chlorophenyl)prop-2-enoate. And the chemical formula of this chemical is C11H11ClO2.

Physical properties of 2-Propenoic acid,3-(4-chlorophenyl)-, ethyl ester: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 58.07 cm3; (9)Molar Volume: 178.8 cm3; (10)Polarizability: 23.02×10-24cm3; (11)Surface Tension: 40.2 dyne/cm; (12)Density: 1.177 g/cm3; (13)Flash Point: 151.9 °C; (14)Enthalpy of Vaporization: 54.85 kJ/mol; (15)Boiling Point: 307.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000703 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(/C=C/C(=O)OCC)cc1
(2)InChI: InChI=1/C11H11ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
(3)InChIKey: MHZFMMSRIDAQIB-VMPITWQZBS
(4)Std. InChI: InChI=1S/C11H11ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
(5)Std. InChIKey: MHZFMMSRIDAQIB-VMPITWQZSA-N