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78979-64-3

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Basic Information
CAS No.: 78979-64-3
Name: 2-(4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Article Data: 5
Molecular Structure:
Molecular Structure of 78979-64-3 (2-(4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER)
Formula: C12H10N2O4S
Molecular Weight: 278.288
Synonyms: Ethyl2-(4-nitrophenyl)thiazole-4-carboxylate;
Density: 1.366 g/cm3
Boiling Point: 443.9 °C at 760 mmHg
Flash Point: 222.3 °C
PSA: 113.25000
LogP: 3.41820
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Specification

The CAS registry number of 4-Thiazolecarboxylicacid, 2-(4-nitrophenyl)-, ethyl ester is 78979-64-3. This chemical's molecular formula is C12H10N2O4S and molecular weight is 278.28. What's more, its systematic name is called Ethyl 2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate.

Physical properties about 4-Thiazolecarboxylicacid, 2-(4-nitrophenyl)-, ethyl ester are: (1)ACD/LogP: 3.71; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 113.25 Å2; (7)Index of Refraction: 1.606; (8)Molar Refractivity: 70.27 cm3; (9)Molar Volume: 203.6 cm3; (10)Polarizability: 27.85×10-24 cm3; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.366 g/cm3; (13)Flash Point: 222.3 °C; (14)Enthalpy of Vaporization: 70.16 kJ/mol; (15)Boiling Point: 443.9 °C at 760 mmHg; (16)Vapour Pressure: 4.46E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(c1nc(cs1)C(=O)OCC)cc2
(2) InChI: InChI=1/C12H10N2O4S/c1-2-18-12(15)10-7-19-11(13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3
(3) InChIKey: XQBNPFPSRBLFHV-UHFFFAOYAF