Name: 9-Acetyl-3,6-diiodocarbazole
SKU: 606129-89-9

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Basic Information

Molecular Structure:
CAS No.:	606129-89-9
Name:	9-Acetyl-3,6-diiodocarbazole
Article Data:	8

Formula:	C₁₄H₉I₂NO
Molecular Weight:	461.0363
Synonyms:	1-(3,6-Diiodocarbazol-9-yl)ethanone;Ethanone,1-(3,6-diiodo-9H-carbazol-9-yl)-;
Density:	2.145 g/cm³
Melting Point:	228 °C
Boiling Point:	453.808 °C at 760 mmHg
Flash Point:	228.255 °C
PSA:	22.00000
LogP:	4.66380

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Specification

The 9-Acetyl-3,6-diiodocarbazole with CAS registry number of 606129-89-9 also called Ethanone,1-(3,6-diiodo-9H-carbazol-9-yl)-. The IUPAC name is 1-(3,6-diiodocarbazol-9-yl)ethanone. In addition, the formula is C₁₄H₉I₂NO and the molecular weight is 461.0363. What's more, it belongs to the class of Carbazoles.

Physical properties about 9-Acetyl-3,6-diiodocarbazole are: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 12000.064; (6)ACD/BCF (pH 7.4): 12000.064; (7)ACD/KOC (pH 5.5): 28937.98; (8)ACD/KOC (pH 7.4): 28937.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.771; (14)Molar Refractivity: 89.345 cm³; (15)Molar Volume: 214.898 cm³; (16)Polarizability: 35.419 ×10^-24cm³; (17)Surface Tension: 56.145 dyne/cm; (18)Density: 2.145 g/cm³; (19)Flash Point: 228.255 °C; (20)Enthalpy of Vaporization: 71.328 kJ/mol; (21)Boiling Point: 453.808 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)n1c2ccc(cc2c3c1ccc(c3)I)I
(2)InChI: InChI=1/C14H9I2NO/c1-8(18)17-13-4-2-9(15)6-11(13)12-7-10(16)3-5-14(12)17/h2-7H,1H3
(3)InChIKey: HAZMJWKYEJRBCO-UHFFFAOYAR