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56355-79-4

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Basic Information
CAS No.: 56355-79-4
Name: Ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate
Molecular Structure:
Molecular Structure of 56355-79-4 (Ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate)
Formula: C7H8BrNO2S
Molecular Weight: 250.116
Synonyms: Ethyl 2-(2-bromothiazol-4-yl)acetate;
Density: 1.587 g/cm3
Boiling Point: 291.902 °C at 760 mmHg
Flash Point: 130.338 °C
PSA: 67.43000
LogP: 2.01120
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Specification

The Ethyl 2-(2-bromo-1, 3-thiazol-4-yl)acetate has CAS registry number 56355-79-4. This chemical's molecular formula is C7H8BrNO2S and molecular weight is 250.1129. What's more, its systematic name is Ethyl 2-(2-bromothiazol-4-yl)acetate.

Physical properties about Ethyl 2-(2-bromo-1, 3-thiazol-4-yl)acetate are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.974; (4)ACD/LogD (pH 7.4): 1.974; (5)ACD/BCF (pH 5.5): 18.624; (6)ACD/BCF (pH 7.4): 18.624; (7)ACD/KOC (pH 5.5): 282.313; (8)ACD/KOC (pH 7.4): 282.313; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 51.008 cm3; (15)Molar Volume: 157.634 cm3; (16)Polarizability: 20.221×10-24 cm3; (17)Surface Tension: 48.491 dyne/cm; (18)Density: 1.587 g/cm3; (19)Flash Point: 130.338 °C; (20)Enthalpy of Vaporization: 53.137 kJ/mol; (21)Boiling Point: 291.902 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)Cc1csc(n1)Br
(2) InChI: InChI=1/C7H8BrNO2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3
(3) InChIKey: DHFZEWZLCNRIRX-UHFFFAOYAN