CAS No.105983-77-5,Methyl 4-bromo-3-oxopentanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105983-77-5
Name:	Methyl 4-bromo-3-oxopentanoate
Article Data:	12

Formula:	C₆H₉BrO₃
Molecular Weight:	209.04
Synonyms:	Pentanoic acid, 4-bromo-3-oxo-, methyl ester;
Density:	1.475 g/cm³
Boiling Point:	224.12 °C at 760 mmHg
Flash Point:	89.345 °C
PSA:	43.37000
LogP:	0.90200

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Specification

The Methyl 4-bromo-3-oxopentanoate, with the CAS registry number 105983-77-5, is also known as Pentanoic acid, 4-bromo-3-oxo-, methyl ester. This chemical's molecular formula is C₆H₉BrO₃ and molecular weight is 209.04.

Physical properties of Methyl 4-bromo-3-oxopentanoate are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 176; (8)ACD/KOC (pH 7.4): 175; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 39.341 cm³; (15)Molar Volume: 141.736 cm³; (16)Polarizability: 15.596×10^-24 cm³; (17)Surface Tension: 37.26 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 89.345 °C; (20)Enthalpy of Vaporization: 46.061 kJ/mol; (21)Boiling Point: 224.12 °C at 760 mmHg; (22)Vapour Pressure: 0.093 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(Br)C)CC(=O)OC
(2)InChI: InChI=1/C6H9BrO3/c1-4(7)5(8)3-6(9)10-2/h4H,3H2,1-2H3
(3)InChIKey: HCBQTGAZENNMLM-UHFFFAOYAI