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78444-18-5

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Basic Information
CAS No.: 78444-18-5
Name: 2,3-DICHLOROCINNAMALDEHYDE
Article Data: 4
Molecular Structure:
Molecular Structure of 78444-18-5 (2,3-DICHLOROCINNAMALDEHYDE)
Formula: C9H6Cl2O
Molecular Weight: 201.052
Synonyms: trans-2,3-Dichlorocinnamaldehyde;2-Propenal,3-(2,3-dichlorophenyl)-, (E)- (9CI);
Density: 1.325 g/cm3
Boiling Point: 329.5 °C at 760 mmHg
Flash Point: 138.8 °C
PSA: 17.07000
LogP: 3.20550
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Specification

The 2-Propenal,3-(2,3-dichlorophenyl)-, (2E)- is an organic compound with the formula C9H6Cl2O. The systematic name of this chemical is (2E)-3-(2,3-dichlorophenyl)prop-2-enal. With the CAS registry number 78444-18-5, it is also named as 2,3-Dichlorocinnamaldehyde.

Physical properties about 2-Propenal,3-(2,3-dichlorophenyl)-, (2E)- are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 108.64; (5)ACD/BCF (pH 7.4): 108.64; (6)ACD/KOC (pH 5.5): 997.66; (7)ACD/KOC (pH 7.4): 997.66; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 52.11 cm3; (13)Molar Volume: 151.6 cm3; (14)Polarizability: 20.66×10-24cm3; (15)Surface Tension: 44.1 dyne/cm; (16)Density: 1.325 g/cm3; (17)Flash Point: 138.8 °C; (18)Enthalpy of Vaporization: 57.2 kJ/mol; (19)Boiling Point: 329.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(\C=C\C=O)cccc1Cl
(2)InChI: InChI=1/C9H6Cl2O/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-6H/b4-2+
(3)InChIKey: DBEMJHDYRHMHEX-DUXPYHPUBE
(4)Std. InChI: InChI=1S/C9H6Cl2O/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-6H/b4-2+
(5)Std. InChIKey: DBEMJHDYRHMHEX-DUXPYHPUSA-N