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951885-31-7

Basic Information
CAS No.: 951885-31-7
Name: Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate
Molecular Structure:
Molecular Structure of 951885-31-7 (Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate)
Formula: C12H9Cl2NO3
Molecular Weight: 286.10
Synonyms: Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate
Density: 1.368 g/cm3
Boiling Point: 405.2 °C at 760 mmHg
Flash Point: 198.9 °C
PSA: 52.33000
LogP: 3.82510
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    Molecular Formula C12H9Cl2NO3 Molecular Weight 286.10 CAS Registry Number 951885-31-7 NameEthyl 5-(2,3-dichlorophenyl)oxaz…

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Specification

The Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate, with the CAS registry number 951885-31-7, belongs to the product categories of Blocks; Carboxes; Oxazoles. This chemical's molecular formula is C12H9Cl2NO3 and molecular weight is 286.1. Its systematic name is called ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate.

Physical properties about Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.33 Å2; (9)Index of Refraction: 1.558; (10)Molar Refractivity: 67.43 cm3; (11)Molar Volume: 209 cm3; (12)Surface Tension: 46.2 dyne/cm; (13)Density: 1.368 g/cm3; (14)Flash Point: 198.9 °C; (15)Enthalpy of Vaporization: 65.68 kJ/mol; (16)Boiling Point: 405.2 °C at 760 mmHg; (17)Vapour Pressure: 8.92E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(ocn1)c2cccc(c2Cl)Cl
(2)InChI: InChI=1/C12H9Cl2NO3/c1-2-17-12(16)10-11(18-6-15-10)7-4-3-5-8(13)9(7)14/h3-6H,2H2,1H3
(3)InChIKey: AJTQIRIQDDBKNL-UHFFFAOYAN