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Ethanone,1-(5-chloro-2-methoxyphenyl)- (6342-64-9)

Identification
Name:Ethanone,1-(5-chloro-2-methoxyphenyl)-
Synonyms:Acetophenone,5'-chloro-2'-methoxy- (6CI);1-(5-Chloro-2-methoxyphenyl)ethanone;5'-Chloro-2'-methoxyacetophenone;NSC 46629;
CAS:6342-64-9
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196
InChI: InChI=1/C9H9ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
Molecular Structure: (C9H9ClO2) Acetophenone,5'-chloro-2'-methoxy- (6CI);1-(5-Chloro-2-methoxyphenyl)ethanone;5'-Chloro-2'-methoxyac...
Properties
Density:1.176 g/cm3
Refractive index:1.521
Specification:

The Ethanone,1-(5-chloro-2-methoxyphenyl)-, with CAS registry number 6342-64-9, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Pharmacetical; (3)Adehydes, Acetals & Ketones;Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Chlorine Compounds. It has the systematic name of 1-(5-chloro-2-methoxyphenyl)ethanone. And the chemical formula of this chemical is C9H9ClO2.

Physical properties of Ethanone,1-(5-chloro-2-methoxyphenyl)-: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 47.85 cm3; (9)Molar Volume: 156.9 cm3; (10)Polarizability: 18.97×10-24cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Enthalpy of Vaporization: 51.67 kJ/mol; (13)Vapour Pressure: 0.00434 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1)C(=O)C
(2)InChI: InChI=1/C9H9ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
(3)InChIKey: QPIUQLBBCQTWMJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H9ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
(5)Std. InChIKey: QPIUQLBBCQTWMJ-UHFFFAOYSA-N

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