CAS No.54450-20-3,5-Bromo-3(2H)-benzofuranone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54450-20-3
Name:	5-Bromo-3(2H)-benzofuranone
Article Data:	12

Formula:	C₈H₅BrO₂
Molecular Weight:	213.03
Synonyms:	5-Bromo-2-hydrobenzo[b]furan-3-one;5-Bromo-3-benzofuranone;
Density:	1.743 g/cm³
Melting Point:	69 °C(Solv: ligroine (8032-32-4))
Boiling Point:	319.486 °C at 760 mmHg
Flash Point:	147.02 °C
PSA:	26.30000
LogP:	2.02420

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Specification

The 3(2H)-Benzofuranone,5-bromo-, with the CAS registry number 54450-20-3, is also known as 5-Bromo-2-hydrobenzo[b]furan-3-one and 5-Bromo-3-benzofuranone. This chemical's molecular formula is C₈H₅BrO₂ and molecular weight is 213.03. What's more, its systematic name is called 5-Bromo-1-benzofuran-3(2H)-one.

Physical properties about 3(2H)-Benzofuranone,5-bromo- are: (1)ACD/LogP: 2.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 64; (6)ACD/BCF (pH 7.4): 64; (7)ACD/KOC (pH 5.5): 681; (8)ACD/KOC (pH 7.4): 681; (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: 43.241 cm³; (15)Molar Volume: 122.25 cm³; (16)Surface Tension: 52.465 dyne/cm; (17)Density: 1.743 g/cm³; (18)Flash Point: 147.02 °C; (19)Enthalpy of Vaporization: 56.107 kJ/mol; (20)Boiling Point: 319.486 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cc1c(OCC1=O)cc2
(2) InChI: InChI=1/C8H5BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
(3) InChIKey: UXUCDQLDYILHQI-UHFFFAOYAN