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6-Chlorobenzofuran-3(2H)-one (3260-78-4)

Identification
Name:6-Chlorobenzofuran-3(2H)-one
Synonyms:6-Chloro-1-benzofuran-3(2H)-one;6-chloro-2-hydrobenzo[b]furan-3-one;6-Chloro-3-benzofuranone;
CAS:3260-78-4
Molecular Formula: C8H5ClO2
Molecular Weight: 213.03
InChI: InChI=1/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
Molecular Structure: (C8H5ClO2) 6-Chloro-1-benzofuran-3(2H)-one;6-chloro-2-hydrobenzo[b]furan-3-one;6-Chloro-3-benzofuranone;
Properties
Density:1.428 g/cm3
Refractive index:1.601
Specification:

The 6-Chlorobenzofuran-3(2H)-one, with CAS registry number 3260-78-4, has the systematic name of 6-chlorobenzofuran-3-one. Besides this, it is also called 3(2H)-benzofuranone, 6-chloro-. And the chemical formula of this chemical is C8H5ClO2. Its molecular weight is 213.03.

Physical properties of 6-Chlorobenzofuran-3(2H)-one: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.513; (4)ACD/LogD (pH 7.4): 2.513; (5)ACD/BCF (pH 5.5): 47.858; (6)ACD/BCF (pH 7.4): 47.858; (7)ACD/KOC (pH 5.5): 554.785; (8)ACD/KOC (pH 7.4): 554.785; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 40.446 cm3; (15)Molar Volume: 118.016 cm3; (16)Polarizability: 16.034×10-24cm3; (17)Surface Tension: 50.814 dyne/cm; (18)Enthalpy of Vaporization: 54.47 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)OCC2=O
(2)InChI: InChI=1/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
(3)InChIKey: QSYZLDHZMYWEKL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
(5)Std. InChIKey: QSYZLDHZMYWEKL-UHFFFAOYSA-N

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