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7039-74-9

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Basic Information
CAS No.: 7039-74-9
Name: 2-BROMO-1-(5-CHLORO-1-BENZOFURAN-2-YL)ETHANONE
Article Data: 5
Molecular Structure:
Molecular Structure of 7039-74-9 (2-BROMO-1-(5-CHLORO-1-BENZOFURAN-2-YL)ETHANONE)
Formula: C10H6BrClO2
Molecular Weight: 273.5104
Synonyms: Ketone,bromomethyl 5-chloro-2-benzofuranyl (7CI,8CI);2-Bromo-1-(5-chlorobenzo[b]furan-2-yl)ethanone;
Density: 1.677g/cm3
Melting Point: 122 °C(Solv: ethanol (64-17-5))
Boiling Point: 340.8 °C at 760 mmHg
Flash Point: 159.9 °C
PSA: 30.21000
LogP: 3.66380
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Specification

The Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)-, with CAS registry number 7039-74-9, has the systematic name of 2-bromo-1-(5-chloro-1-benzofuran-2-yl)ethanone. And its IUPAC name is the same one. What's more, the chemical formula of this chemical is C10H6BrClO2.

Physical properties of Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.86; (6)ACD/BCF (pH 7.4): 169.86; (7)ACD/KOC (pH 5.5): 1373.76; (8)ACD/KOC (pH 7.4): 1373.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 59.04 cm3; (15)Molar Volume: 163 cm3; (16)Polarizability: 23.4×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.677 g/cm3; (19)Flash Point: 159.9 °C; (20)Enthalpy of Vaporization: 58.43 kJ/mol; (21)Boiling Point: 340.8 °C at 760 mmHg; (22)Vapour Pressure: 8.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c2oc1ccc(Cl)cc1c2
(2)InChI: InChI=1/C10H6BrClO2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2
(3)InChIKey: VPUBAVYOQQLHPM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H6BrClO2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2
(5)Std. InChIKey: VPUBAVYOQQLHPM-UHFFFAOYSA-N