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Ethanone,1-(2-chloro-4-hydroxyphenyl)- (68301-59-7)

Identification
Name:Ethanone,1-(2-chloro-4-hydroxyphenyl)-
Synonyms:1-(2-Chloro-4-hydroxyphenyl)ethanone;2'-Chloro-4'-hydroxyacetophenone;
CAS:68301-59-7
Molecular Formula: C8H7ClO2
Molecular Weight: 170.59
InChI: InChI=1/C8H7ClO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
Molecular Structure: (C8H7ClO2) 1-(2-Chloro-4-hydroxyphenyl)ethanone;2'-Chloro-4'-hydroxyacetophenone;
Properties
Density:1.298g/cm3
Refractive index:1.569
Specification:

The 2'-Chloro-4'-hydroxyacetophenone, with cas registry number 68301-59-7, has the systematic name of Ethanone, 1-(2-chloro-4-hydroxyphenyl)-. And its IUPAC name is 1-(2-chloro-4-hydroxyphenyl)ethanone.

Physical properties about this chemical are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 1.76; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å2; (9)Index of Refraction: 1.569; (10)Molar Refractivity: 43.05 cm3; (11)Molar Volume: 131.3 cm3; (12)Polarizability: 17.06×10-24cm3; (13)Surface Tension: 46.6 dyne/cm; (14)Enthalpy of Vaporization: 54.83 kJ/mol; (15)Vapour Pressure: 0.00139 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccc(O)cc1Cl
(2)InChI: InChI=1/C8H7ClO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
(3)InChIKey: LEQXWOPVKMSPDV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
(5)Std. InChIKey: LEQXWOPVKMSPDV-UHFFFAOYSA-N
 

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