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850429-52-6

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Basic Information
CAS No.: 850429-52-6
Name: 4-BROMO-N-[2-(TBDMSO)ETHYL]BENZENESULFONAMIDE
Molecular Structure:
Molecular Structure of 850429-52-6 (4-BROMO-N-[2-(TBDMSO)ETHYL]BENZENESULFONAMIDE)
Formula: C14H24BrNO3SSi
Molecular Weight: 394.4
Synonyms: 4-Bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzenesulfonamide;4-Bromo-N-[2-(tbdmso)ethyl]benzenesulfonamide;
Density: 1.256 g/cm3
Melting Point: 32-36 °C
Boiling Point: 412.8 °C at 760 mmHg
Flash Point: 203.4 °C
Hazard Symbols: IrritantXi
PSA: 63.78000
LogP: 5.22090
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Specification

The Benzenesulfonamide,4-bromo-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-, with the CAS registry number 850429-52-6, is also known as 4-Bromo-N-[2-(tbdmso)ethyl]benzenesulfonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C14H24BrNO3SSi and molecular weight is 394.4. What's more, its systematic name is 3-Benzyl-N,N-dimethylimidazole-4-carboxamide. 

Physical properties of Benzenesulfonamide,4-bromo-N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]- are: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.94; (4)ACD/LogD (pH 7.4): 4.94; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 63.78 Å2; (9)Index of Refraction: 1.513; (10)Molar Refractivity: 94.48 cm3; (11)Molar Volume: 313.9 cm3; (12)Polarizability: 37.45×10-24cm3; (13)Surface Tension: 34.3 dyne/cm; (14)Density: 1.256 g/cm3; (15)Flash Point: 203.4 °C; (16)Enthalpy of Vaporization: 66.55 kJ/mol; (17)Boiling Point: 412.8 °C at 760 mmHg; (18)Vapour Pressure: 5.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)[Si](C)(C)OCCNS(=O)(=O)c1ccc(cc1)Br
(2)InChI: InChI=1S/C14H24BrNO3SSi/c1-14(2,3)21(4,5)19-11-10-16-20(17,18)13-8-6-12(15)7-9-13/h6-9,16H,10-11H2,1-5H3
(3)InChIKey: MDGPCUSYXKGALX-UHFFFAOYSA-N