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| CAS No.: | 201809-69-0 |
|---|---|
| Name: | 3(2H)-Benzofuranone, 6-Bromo- |
| Molecular Structure: | |
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| Formula: | C8H5BrO2 |
| Molecular Weight: | 213.03 |
| Synonyms: | 6-Bromobenzofuran-3-one;6-bromobenzofuran-3(2H)-one;6-Bromo-3-Benzofuranone;6-Bromo-3(2H)-benzofuranone;6-Bromo-2-hydrobenzo[b]furan-3-one; |
| Density: | 1.742 g/cm3 |
| Boiling Point: | 319.5 °C at 760 mmHg |
| Flash Point: | 147 °C |
| PSA: | 26.30000 |
| LogP: | 2.02420 |
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Specification
The 3(2H)-Benzofuranone,6-bromo-, with the CAS registry number 201809-69-0, is also known as 6-Bromobenzofuran-3-one. This chemical's molecular formula is C8H5BrO2 and molecular weight is 213.03. What's more, its systematic name is 6-Bromo-1-benzofuran-3(2H)-one.
Physical properties of 3(2H)-Benzofuranone,6-bromo- are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.56; (6)ACD/BCF (pH 7.4): 38.56; (7)ACD/KOC (pH 5.5): 475.35; (8)ACD/KOC (pH 7.4): 475.35; (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: 1.625; (14)Molar Refractivity: 43.24 cm3; (15)Molar Volume: 122.2 cm3; (16)Polarizability: 17.14×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.742 g/cm3; (19)Flash Point: 147 °C; (20)Enthalpy of Vaporization: 56.11 kJ/mol; (21)Boiling Point: 319.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000338 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)OCC2=O
(2)Std. InChI: InChI=1S/C8H5BrO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
(3)Std. InChIKey: CJEHZCSKQCWMJL-UHFFFAOYSA-N