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13492-69-8

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Basic Information
CAS No.: 13492-69-8
Name: Chalcone,a,b-dichloro-, dimethyl acetal (8CI)
Molecular Structure:
Molecular Structure of 13492-69-8 (Chalcone,a,b-dichloro-, dimethyl acetal (8CI))
Formula: C17H16Cl2O2
Molecular Weight: 323.219
Synonyms: Propene,1,2-dichloro-3,3-dimethoxy-1,3-diphenyl-;NSC 172576;
Density: 1.225g/cm3
Boiling Point: 418.5 °C at 760 mmHg
Flash Point: 141.6 °C
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Specification

The Chalcone,a,b-dichloro-, dimethyl acetal (8CI), with CAS registry number 13492-69-8, has the systematic name of 1,1'-[(1E)-1,2-dichloro-3,3-dimethoxyprop-1-ene-1,3-diyl]dibenzene. Its molecular weight is 323.2137. And the chemical formula of this chemical is C17H16Cl2O2.

Physical properties of Chalcone,a,b-dichloro-, dimethyl acetal (8CI): (1)ACD/LogP: 8.83; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 87.14 cm3; (9)Molar Volume: 263.6 cm3; (10)Polarizability: 34.54×10-24cm3; (11)Surface Tension: 40.8 dyne/cm; (12)Density: 1.225 g/cm3; (13)Flash Point: 141.6 °C; (14)Enthalpy of Vaporization: 64.6 kJ/mol; (15)Boiling Point: 418.5 °C at 760 mmHg; (16)Vapour Pressure: 7.93E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(c1ccccc1)=C(/Cl)C(OC)(OC)c2ccccc2
(2)InChI: InChI=1/C17H16Cl2O2/c1-20-17(21-2,14-11-7-4-8-12-14)16(19)15(18)13-9-5-3-6-10-13/h3-12H,1-2H3/b16-15+
(3)InChIKey: DSNOVPKOBGPFHH-FOCLMDBBBQ
(4)Std. InChI: InChI=1S/C17H16Cl2O2/c1-20-17(21-2,14-11-7-4-8-12-14)16(19)15(18)13-9-5-3-6-10-13/h3-12H,1-2H3/b16-15+
(5)Std. InChIKey: DSNOVPKOBGPFHH-FOCLMDBBSA-N