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4600081-18-9

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Basic Information
CAS No.: 4600081-18-9
Name: ethyl 2-bromo-5-chlorooxazole-4-carboxylate
Molecular Structure:
Molecular Structure of 4600081-18-9 (ethyl 2-bromo-5-chlorooxazole-4-carboxylate)
Formula: C6H5BrClNO3
Molecular Weight: 254.4658
Synonyms: Ethyl 2-bromo-5-chlorooxazole-4-carboxylate;
Density: 1.72 g/cm3
Boiling Point: 306.485 °C at 760 mmHg
Flash Point: 139.157 °C
PSA: 52.33000
LogP: 2.26720
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Specification

The Ethyl-2-chlorooxazole-4-carboxylate, with the CAS registry number 4600081-18-9, is also known as Ethyl 2-bromo-5-chlorooxazole-4-carboxylate. This chemical's molecular formula is C6H5BrClNO3 and molecular weight is 254.4658. What's more, its systematic name is Ethyl 5-bromo-2-chloro-oxazole-4-carboxylate.

Physical properties about Ethyl-2-chlorooxazole-4-carboxylate are: (1)ACD/LogP:; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.562; (4)ACD/LogD (pH 7.4): 2.562; (5)ACD/BCF (pH 5.5): 52.104; (6)ACD/BCF (pH 7.4): 52.104; (7)ACD/KOC (pH 5.5): 589.587; (8)ACD/KOC (pH 7.4): 589.587; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 45.635 cm3; (15)Molar Volume: 147.987 cm3; (16)Polarizability: 18.091×10-24 cm3; (17)Surface Tension: 46.478 dyne/cm; (18)Density: 1.72 g/cm3; (19)Flash Point: 139.157 °C; (20)Enthalpy of Vaporization: 54.701 kJ/mol; (21)Boiling Point: 306.485 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1c(oc(n1)Cl)Br
(2) InChI: InChI=1/C6H5BrClNO3/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
(3) InChIKey: DEYVIYMVORUNKU-UHFFFAOYAW