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CAS No.: | 850429-69-5 |
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Name: | N-CYCLOHEXYL 3-BROMO-4-METHYLBENZENESULFONAMIDE |
Molecular Structure: | |
Formula: | C13H18BrNO2S |
Molecular Weight: | 332.26 |
Synonyms: | N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide; |
Density: | 1.46 g/cm3 |
Boiling Point: | 432.8 °C at 760 mmHg |
Flash Point: | 215.6 °C |
PSA: | 54.55000 |
LogP: | 4.84020 |
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The Benzenesulfonamide,3-bromo-N-cyclohexyl-4-methyl-, with the CAS registry number 850429-69-5, is also known as N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C13H18BrNO2S and molecular weight is 332.26. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-N-cyclohexyl-4-methylbenzenesulfonamide.
Physical properties about Benzenesulfonamide,3-bromo-N-cyclohexyl-4-methyl- are: (1) ACD/LogP: 4.63; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 45.76 Å2; (7) Index of Refraction: 1.597; (8) Molar Refractivity: 77.28 cm3; (9) Molar Volume: 226.7 cm3; (10) Surface Tension: 52.3 dyne/cm; (11) Density: 1.46 g/cm3; (12) Flash Point: 215.6 °C; (13) Enthalpy of Vaporization: 68.87 kJ/mol; (14) Boiling Point: 432.8 °C at 760 mmHg; (15) Vapour Pressure: 1.07E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(NC1CCCCC1)c2ccc(c(Br)c2)C
(2) InChI: InChI=1/C13H18BrNO2S/c1-10-7-8-12(9-13(10)14)18(16,17)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
(3) InChIKey: CNTDHRBLONXWGE-UHFFFAOYAY