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113170-74-4

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Basic Information
CAS No.: 113170-74-4
Name: 4-bromo-2-cyano-N,N-dimethyl-6-(trifluoromethyl)-1H-benzimidazole-1-sulfonamide
Molecular Structure:
Molecular Structure of 113170-74-4 (4-bromo-2-cyano-N,N-dimethyl-6-(trifluoromethyl)-1H-benzimidazole-1-sulfonamide)
Formula: C11H8BrF3N4O2S
Molecular Weight: 397.17
Synonyms: Demefluazole;Dimefluazole;RP52232;
Density: 1.79 g/cm3
Boiling Point: 467.4 °Cat760mmHg
Flash Point: 236.5 °C
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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Specification

This chemical is called 1H-Benzimidazole-1-sulfonamide,4-bromo-2-cyano-N,N-dimethyl-6-(trifluoromethyl)-, and its IUPAC name is 4-bromo-2-cyano-N,N-dimethyl-6-(trifluoromethyl)benzimidazole-1-sulfonamide. With the molecular formula of C11H8BrF3N4O2S, its molecular weight is 397.17. The CAS registry number of this chemical is 113170-74-4.

Other characteristics of the 1H-Benzimidazole-1-sulfonamide,4-bromo-2-cyano-N,N-dimethyl-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 87.37 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 78.1 cm3; (9)Molar Volume: 220.9 cm3; (10)Polarizability: 30.96×10-24cm3; (11)Surface Tension: 50.6 dyne/cm; (12)Density: 1.79 g/cm3; (13)Flash Point: 236.5 °C; (14)Enthalpy of Vaporization: 72.94 kJ/mol; (15)Boiling Point: 467.4 °C at 760 mmHg; (16)Vapour Pressure: 6.51E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c2cc1c(nc(C#N)n1S(=O)(=O)N(C)C)c(Br)c2
2.InChI: InChI=1/C11H8BrF3N4O2S/c1-18(2)22(20,21)19-8-4-6(11(13,14)15)3-7(12)10(8)17-9(19)5-16/h3-4H,1-2H3
3.InChIKey: NUXCNUDGXUKOBN-UHFFFAOYAU