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Basic Information
CAS No.: 96804-05-6
Name: 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE
Molecular Structure:
Molecular Structure of 96804-05-6 (1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE)
Formula: C12H17BrO2S
Molecular Weight: 305.236
Synonyms: benzene, 1-bromo-4-[(2,2-diethoxyethyl)thio]-;
Density: 1.334 g/cm3
Boiling Point: 344.87 °C at 760 mmHg
Flash Point: 162.372 °C
PSA: 43.76000
LogP: 3.94030
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Specification

The 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene with the cas number 96804-05-6, is also called benzene, 1-bromo-4-[(2,2-diethoxyethyl)thio]-. Its molecular formula is C12H17BrO2S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 43.76 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 73.728 cm3; (9)Molar Volume: 228.835 cm3; (10)Polarizability: 29.228×10-24cm3; (11)Surface Tension: 43.04 dyne/cm; (12)Enthalpy of Vaporization: 56.559 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(SCC(OCC)OCC)cc1
(2)InChI: InChI=1/C12H17BrO2S/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3