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Basic Information
CAS No.: 6522-75-4
Name: 1-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-9,10-anthracenedione
Molecular Structure:
Molecular Structure of 6522-75-4 (1-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-9,10-anthracenedione)
Formula: C17H8Cl2N4O2
Molecular Weight: 371.18
Synonyms: Anthraquinone,1-[(4,6-dichloro-s-triazin-2-yl)amino]- (7CI,8CI);1-[(4,6-Dichloro-s-triazin-2-yl)amino]anthraquinone;2-(1-Anthraquinonylamino)-4,6-dichloro-1,3,5-triazine;2-(Anthraquinon-1-ylamino)-4,6-dichloro-s-triazine;
Density: 1.623g/cm3
Melting Point: 330 °C
Boiling Point: 649.3 °C at 760 mmHg
Flash Point: 346.5 °C
PSA: 84.84000
LogP: 3.77040
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Specification

The 2-(1-Anthraquinonylamino)-4,6-dichloro-1,3,5-triazine with the CAS number 6522-75-4 is also called 9,10-Anthracenedione,1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-. The systematic name is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anthracene-9,10-dione. Its molecular formula is C17H8Cl2N4O2.

The properties of the chemical are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 401.68; (6)ACD/BCF (pH 7.4): 401.68; (7)ACD/KOC (pH 5.5): 2543.67; (8)ACD/KOC (pH 7.4): 2543.68; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.84 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 92.1 cm3; (15)Molar Volume: 228.6 cm3; (16)Polarizability: 36.51×10-24cm3; (17)Surface Tension: 85.8 dyne/cm; (18)Enthalpy of Vaporization: 95.71 kJ/mol; (19)Vapour Pressure: 9.63×10-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc4nc(Nc2cccc3C(=O)c1ccccc1C(=O)c23)nc(Cl)n4
(2)InChI: InChI=1/C17H8Cl2N4O2/c18-15-21-16(19)23-17(22-15)20-11-7-3-6-10-12(11)14(25)9-5-2-1-4-8(9)13(10)24/h1-7H,(H,20,21,22,23)
(3)InChIKey: GUJADTQBTAIXOR-UHFFFAOYAK