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245064-92-0

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Basic Information
CAS No.: 245064-92-0
Name: 5-chloro-1,4-dihydroxyanthracene-9,10-dione
Molecular Structure:
Molecular Structure of 245064-92-0 (5-chloro-1,4-dihydroxyanthracene-9,10-dione)
Formula: C14H7ClO4
Molecular Weight: 274.66
Synonyms: 1-Chloro-5,8-dihydroxy-9,10-anthraquinone;NSC 231510;5-Chloro-1,4-dihydroxyanthracene-9,10-dione;
Density: 1.636 g/cm3
Boiling Point: 517.9 °C at 760 mmHg
Flash Point: 267 °C
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  • 9,10-Anthracenedione,5-chloro-1,4-dihydroxy-

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Specification

The 9,10-Anthracenedione,5-chloro-1,4-dihydroxy-, with the CAS registry number 245064-92-0, is also known as 1-Chloro-5,8-dihydroxy-9,10-anthraquinone. This chemical's molecular formula is C14H7ClO4 and molecular weight is 274.66. What's more, its systematic name is 5-Chloro-1,4-dihydroxyanthracene-9,10-dione.

Physical properties of 9,10-Anthracenedione,5-chloro-1,4-dihydroxy- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.734; (8)Molar Refractivity: 67.32 cm3; (9)Molar Volume: 167.8 cm3; (10)Polarizability: 26.69×10-24 cm3; (11)Surface Tension: 80.2 dyne/cm; (12)Density: 1.636 g/cm3; (13)Flash Point: 267 °C; (14)Enthalpy of Vaporization: 82.01 kJ/mol; (15)Boiling Point: 517.9 °C at 760 mmHg; (16)Vapour Pressure: 2.41E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(c(O)ccc1O)C(=O)c3c2cccc3Cl
(2)InChI: InChI=1S/C14H7ClO4/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,16-17H
(3)InChIKey: GJSWNAQTLFQZCJ-UHFFFAOYSA-N