The 2-Chloro-3-phenoxy-naphthalene-1,4-dione, with the CAS registry number 71369-17-0, is also known as 1,4-Naphthalenedione, 2-chloro-3-phenoxy-. This chemical's molecular formula is C16H9ClO3 and molecular weight is 284.6939. Its IUPAC name is called 2-chloro-3-phenoxynaphthalene-1,4-dione.
Physical properties of 2-Chloro-3-phenoxy-naphthalene-1,4-dione: (1)ACD/LogP: 4.51; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.658; (5)Molar Refractivity: 74.19 cm3; (6)Molar Volume: 201.4 cm3; (7)Surface Tension: 58.1 dyne/cm; (8)Density: 1.41 g/cm3; (9)Flash Point: 153.1 °C; (10)Enthalpy of Vaporization: 63.2 kJ/mol; (11)Boiling Point: 383.4 °C at 760 mmHg; (12)Vapour Pressure: 4.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
(2)InChI: InChI=1S/C16H9ClO3/c17-13-14(18)11-8-4-5-9-12(11)15(19)16(13)20-10-6-2-1-3-7-10/h1-9H
(3)InChIKey: QPTXRNYONDDBEL-UHFFFAOYSA-N
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