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6549-60-6

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Basic Information
CAS No.: 6549-60-6
Name: 2-(3,4-dichlorophenyl)-1H-indene-1,3(2H)-dione
Article Data: 3
Molecular Structure:
Molecular Structure of 6549-60-6 (2-(3,4-dichlorophenyl)-1H-indene-1,3(2H)-dione)
Formula: C15H8Cl2O2
Molecular Weight: 291.1288
Synonyms: 1,3-Indandione,2-(3,4-dichlorophenyl)- (7CI,8CI);NSC 41696;
Density: 1.458 g/cm3
Boiling Point: 459.2 °C at 760 mmHg
Flash Point: 193.3 °C
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Specification

The 1H-Indene-1,3(2H)-dione,2-(3,4-dichlorophenyl)-, with the CAS registry number 6549-60-6, is also known as NSC41696. This chemical's molecular formula is C15H8Cl2O2 and molecular weight is 291.12882. Its IUPAC name is called 2-(3,4-dichlorophenyl)indene-1,3-dione.

Physical properties of 1H-Indene-1,3(2H)-dione,2-(3,4-dichlorophenyl)-: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.651; (7)Molar Refractivity: 72.92 cm3; (8)Molar Volume: 199.6 cm3; (9)Surface Tension: 57.2 dyne/cm; (10)Density: 1.458 g/cm3; (11)Flash Point: 193.3 °C; (12)Enthalpy of Vaporization: 71.96 kJ/mol; (13)Boiling Point: 459.2 °C at 760 mmHg; (14)Vapour Pressure: 1.29E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC(=C(C=C3)Cl)Cl
(2)InChI: InChI=1S/C15H8Cl2O2/c16-11-6-5-8(7-12(11)17)13-14(18)9-3-1-2-4-10(9)15(13)19/h1-7,13H
(3)InChIKey: LMHJSDPLRWVKKM-UHFFFAOYSA-N