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CAS No.: | 58722-36-4 |
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Name: | 4-(BROMOACETYL)-N,N-DIETHYLBENZENESULFONAMIDE |
Molecular Structure: | |
Formula: | C12H16BrNO3S |
Molecular Weight: | 334.234 |
Synonyms: | Benzenesulfonamide,4-(bromoacetyl)-N,N-diethyl- (9CI); |
Density: | 1.436 g/cm3 |
Boiling Point: | 428.9 °C at 760 mmHg |
Flash Point: | 213.2 °C |
PSA: | 62.83000 |
LogP: | 3.37550 |
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The CAS registry number of Benzenesulfonamide,4-(2-bromoacetyl)-N,N-diethyl- is 58722-36-4. This chemical is also named as Benzenesulfonamide,4-(bromoacetyl)-N,N-diethyl- (9CI). In addition, its molecular formula is C12H16BrNO3S and molecular weight is 334.2293. Its IUPAC name is called 4-(2-bromoacetyl)-N,N-diethylbenzenesulfonamide.
Physical properties about Benzenesulfonamide,4-(2-bromoacetyl)-N,N-diethyl- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.558; (7)Molar Refractivity: 75.07 cm3; (8)Molar Volume: 232.6 cm3; (9)Surface Tension: 46 dyne/cm; (10)Density: 1.436 g/cm3; (11)Flash Point: 213.2 °C; (12)Enthalpy of Vaporization: 68.42 kJ/mol; (13)Boiling Point: 428.9 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(CC)CC)c1ccc(C(=O)CBr)cc1
(2)InChI: InChI=1/C12H16BrNO3S/c1-3-14(4-2)18(16,17)11-7-5-10(6-8-11)12(15)9-13/h5-8H,3-4,9H2,1-2H3
(3)InChIKey: XSACATWDWOSQKU-UHFFFAOYAE