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CAS No.: | 56539-06-1 |
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Name: | N-(2-aminophenyl)-4-chloro-benzenesulfonamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H11ClN2O2S |
Molecular Weight: | 282.751 |
Synonyms: | N-(2-Aminophenyl)-4-chlorobenzenesulfonamide;NSC 48644; |
Density: | 1.466 g/cm3 |
Boiling Point: | 450.9 °C at 760 mmH |
Flash Point: | 226.5 °C |
PSA: | 80.57000 |
LogP: | 4.45800 |
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The CAS registry number of Benzenesulfonamide,N-(2-aminophenyl)-4-chloro- is 56539-06-1. This chemical is also named as NSC 48644. In addition, its molecular formula is C12H11ClN2O2S and molecular weight is 282.7459. Its systematic name and IUPAC name are the same which is called N-(2-aminophenyl)-4-chlorobenzenesulfonamide.
Physical properties about Benzenesulfonamide,N-(2-aminophenyl)-4-chloro- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.674; (7)Molar Refractivity: 72.37 cm3; (8)Molar Volume: 192.7 cm3; (9)Surface Tension: 66.4 dyne/cm; (10)Density: 1.466 g/cm3; (11)Flash Point: 226.5 °C; (12)Enthalpy of Vaporization: 70.99 kJ/mol; (13)Boiling Point: 450.9 °C at 760 mmH.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Cl)cc1)Nc2ccccc2N
(2)InChI: InChI=1/C12H11ClN2O2S/c13-9-5-7-10(8-6-9)18(16,17)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2
(3)InChIKey: XOMKKZWMWOCGTL-UHFFFAOYAP