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239783-48-3

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Basic Information
CAS No.: 239783-48-3
Name: 6-Iodo-2-Tetralone
Article Data: 2
Molecular Structure:
Molecular Structure of 239783-48-3 (6-Iodo-2-Tetralone)
Formula: C10H9IO
Molecular Weight: 272.085
Synonyms: 6-Iodo-2-tetralone;
Density: 1.757 g/cm3
Boiling Point: 340.498 °C at 760 mmHg
Flash Point: 159.728 °C
PSA: 17.07000
LogP: 2.34900
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Specification

The 6-Iodo-2-tetralone is an organic compound with the formula C10H9IO. The systematic name of this chemical is 6-iodotetralin-2-one. With the CAS registry number 239783-48-3, it is also named as 3,4-Dihydro-6-iodo-2(1H)-naphthalenone.

Physical properties about 6-Iodo-2-tetralone are: (1)ACD/LogP: 4.09; (2)ACD/LogD (pH 5.5): 4.088; (3)ACD/LogD (pH 7.4): 4.088; (4)ACD/BCF (pH 5.5): 753.725; (5)ACD/BCF (pH 7.4): 753.725; (6)ACD/KOC (pH 5.5): 3991.262; (7)ACD/KOC (pH 7.4): 3991.262; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 56.076 cm3; (12)Molar Volume: 154.833 cm3; (13)Polarizability: 22.23×10-24cm3; (14)Surface Tension: 49.993 dyne/cm; (15)Density: 1.757 g/cm3; (16)Flash Point: 159.728 °C; (17)Enthalpy of Vaporization: 58.406 kJ/mol; (18)Boiling Point: 340.498 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1I)CCC(=O)C2
(2)InChI: InChI=1/C10H9IO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2
(3)InChIKey: SEWYGJLCOWKXRM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9IO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2 CopyCopied
(5)Std. InChIKey: SEWYGJLCOWKXRM-UHFFFAOYSA-N