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17556-22-8

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Basic Information
CAS No.: 17556-22-8
Name: 6,7-Dichloro-2-tetralone
Molecular Structure:
Molecular Structure of 17556-22-8 (6,7-Dichloro-2-tetralone)
Formula: C10H8Cl2O
Molecular Weight: 215.079
Synonyms: 6,7-Dichloro-2-tetralone;
Density: 1.372g/cm3
Boiling Point: 337.7 °C at 760 mmHg
Flash Point: 142.4 °C
PSA: 17.07000
LogP: 3.05120
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Specification

The 6,7-Dichloro-2-tetralone, with CAS registry number 17556-22-8,  has the systematic name of 6,7-dichloro-3,4-dihydronaphthalen-2(1H)-one.

Physical properties about this chemical are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.85; (6)ACD/BCF (pH 7.4): 77.85; (7)ACD/KOC (pH 5.5): 785.88; (8)ACD/KOC (pH 7.4): 785.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 52.95 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 20.99×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Enthalpy of Vaporization: 58.09 kJ/mol; (19)Vapour Pressure: 0.000103 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1c(Cl)cc2c(c1)CC(=O)CC2
(2)InChI: InChI=1/C10H8Cl2O/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h4-5H,1-3H2
(3)InChIKey: BEZIJCXXAGNMFX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H8Cl2O/c11-9-4-6-1-2-8(13)3-7(6)5-10(9)12/h4-5H,1-3H2
(5)Std. InChIKey: BEZIJCXXAGNMFX-UHFFFAOYSA-N