The 9,10-Anthracenedione,2-amino-3-chloro-, with the CAS registry number 84-46-8, is also known as 2-Amino-3-chloroanthraquinone. This chemical's molecular formula is C14H8ClNO2 and molecular weight is 257.67. What's more, its systematic name is 2-Amino-3-chloroanthracene-9,10-dione and its EINECS number is 201-530-7.
Physical properties of 9,10-Anthracenedione,2-amino-3-chloro- are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.711; (8)Molar Refractivity: 67.79 cm3; (9)Molar Volume: 173.2 cm3; (10)Polarizability: 26.87×10-24 cm3; (11)Surface Tension: 69.2 dyne/cm; (12)Density: 1.486 g/cm3; (13)Flash Point: 256.7 °C; (14)Enthalpy of Vaporization: 76.96 kJ/mol; (15)Boiling Point: 500.9 °C at 760 mmHg; (16)Vapour Pressure: 3.64E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3c(N)cc2C(=O)c1c(cccc1)C(=O)c2c3
(2)InChI: InChI=1S/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2
(3)InChIKey: VMOJFUJVEWWUAV-UHFFFAOYSA-N
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