2-Thiophenecarboxylicacid, 5-bromo-, ethyl ester (5751-83-7)

The Ethyl 5-bromothiophene-2-carboxylate with the CAS number 5751-83-7 is also called 2-Thiophenecarboxylicacid, 5-bromo-, ethyl ester. Its molecular formula is C₇H₇BrO₂S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Ethyl 5-bromothiophene-2-carboxylate are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.65; (6)ACD/BCF (pH 7.4): 131.65; (7)ACD/KOC (pH 5.5): 1144.71; (8)ACD/KOC (pH 7.4): 1144.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 48.73 cm³; (15)Molar Volume: 149.4 cm³; (16)Polarizability: 19.31×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 50.58 kJ/mol; (19)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(Br)cc1
(2)InChI: InChI=1/C7H7BrO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
(3)InChIKey: PZNHMXAOMDQLLE-UHFFFAOYAH