The CAS register number of 1-amino-6-bromo-anthracene-9,10-dione is 6336-99-8. The molecular formula about this chemical is C14H8BrNO2 and the molecular weight is 302.1228.
Physical properties about 1-amino-6-bromo-anthracene-9,10-dione are: (1)ACD/LogP: 4.12; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 37.38 Å2; (6)Index of Refraction: 1.726; (7)Molar Refractivity: 70.59 cm3; (8)Molar Volume: 177.5 cm3; (9)Polarizability: 27.98x10-24cm3; (10)Surface Tension: 70.1 dyne/cm; (11)Density: 1.701 g/cm3; (12)Flash Point: 267.9 °C; (13)Enthalpy of Vaporization: 79.21 kJ/mol; (14)Boiling Point: 519.4 °C at 760 mmHg; (15)Vapour Pressure: 6.88E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:Brc3cc2C(=O)c1cccc(c1C(=O)c2cc3)N
(2)InChI:InChI=1/C14H8BrNO2/c15-7-4-5-8-10(6-7)13(17)9-2-1-3-11(16)12(9)14(8)18/h1-6H,16H2
(3)InChIKey:JQGGHMGMHYJXDE-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C14H8BrNO2/c15-7-4-5-8-10(6-7)13(17)9-2-1-3-11(16)12(9)14(8)18/h1-6H,16H2
(5)Std. InChIKey:JQGGHMGMHYJXDE-UHFFFAOYSA-N
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