CAS No.69739-64-6,5-Chloro-2-tetralone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69739-64-6
Name:	5-Chloro-2-tetralone
Article Data:	3

Formula:	C₁₀H₉ClO
Molecular Weight:	180.63
Synonyms:	5-Chloro-2-tetralone;
Density:	1.248g/cm³
Boiling Point:	313.7 °C at 760 mmHg
Flash Point:	148.7 °C
PSA:	17.07000
LogP:	2.39780

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Specification

The 5-Chloro-3,4-dihydronaphthalen-2(1H)-one, with CAS registry number 69739-64-6, has the systematic name of 5-chloro-3,4-dihydronaphthalen-2(1H)-one. Besides this, it is also called 2(1H)-naphthalenone, 5-chloro-3,4-dihydro-. And the chemical formula of this chemical is C₁₀H₉ClO.

Physical properties of 5-Chloro-3,4-dihydronaphthalen-2(1H)-one: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.21; (6)ACD/BCF (pH 7.4): 34.21; (7)ACD/KOC (pH 5.5): 436.24; (8)ACD/KOC (pH 7.4): 436.24; (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: 1.578; (14)Molar Refractivity: 48.06 cm³; (15)Molar Volume: 144.7 cm³; (16)Polarizability: 19.05×10^-24cm³; (17)Surface Tension: 45 dyne/cm; (18)Enthalpy of Vaporization: 55.48 kJ/mol; (19)Vapour Pressure: 0.000489 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2c1CCC(=O)C2
(2)InChI: InChI=1/C10H9ClO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
(3)InChIKey: AWOCGXZKCTYRCP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H9ClO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
(5)Std. InChIKey: AWOCGXZKCTYRCP-UHFFFAOYSA-N