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Benzenesulfonamide,5-fluoro-2-methyl-

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Name

Benzenesulfonamide,5-fluoro-2-methyl-

EINECS N/A
CAS No. 2339-57-3 Density 1.362 g/cm3
PSA 68.54000 LogP 2.56260
Solubility N/A Melting Point N/A
Formula C7H8FNO2S Boiling Point 334.1 °C at 760 mmHg
Molecular Weight 189.21 Flash Point 155.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2339-57-3 (o-Toluenesulfonamide, 5-fluoro- (6CI,8CI)) Hazard Symbols N/A
Synonyms

o-Toluenesulfonamide,5-fluoro- (6CI,8CI);5-Fluoro-2-methylbenzenesulfonamide;NSC 372535;

Article Data 9

Benzenesulfonamide,5-fluoro-2-methyl- Specification

The CAS registry number of Benzenesulfonamide,5-fluoro-2-methyl- is 2339-57-3. This chemical is also named as o-Toluenesulfonamide,5-fluoro- (6CI,8CI). In addition, its molecular formula is C7H8FNO2S and molecular weight is 189.2073. Its systematic name and IUPAC name are the same which is called 5-fluoro-2-methylbenzenesulfonamide.

Physical properties about Benzenesulfonamide,5-fluoro-2-methyl- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.87; (6)ACD/BCF (pH 7.4): 4.85; (7)ACD/KOC (pH 5.5): 108; (8)ACD/KOC (pH 7.4): 107.71; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 43.92 cm3; (14)Molar Volume: 138.8 cm3; (15)Surface Tension: 44.4 dyne/cm; (16)Density: 1.362 g/cm3; (17)Flash Point: 155.9 °C; (18)Enthalpy of Vaporization: 57.71 kJ/mol; (19)Boiling Point: 334.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(c(cc1)C)S(=O)(=O)N
(2)InChI: InChI=1/C7H8FNO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
(3)InChIKey: FOUNRCAARPHIQC-UHFFFAOYAT

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