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306935-94-4

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Basic Information
CAS No.: 306935-94-4
Name: 3-(5-FORMYL-2-FURYL)BENZENESULFONAMIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 306935-94-4 (3-(5-FORMYL-2-FURYL)BENZENESULFONAMIDE)
Formula: C11H9NO4S
Molecular Weight: 251.263
Synonyms: 3-(5-formylfuran-2-yl)benzenesulfonamide;benzenesulfonamide, 3-(5-formyl-2-furanyl)-;
Density: 1.41 g/cm3
Boiling Point: 521.8 °C at 760 mmHg
Flash Point: 269.3 °C
Hazard Symbols: IrritantXi
PSA: 98.75000
LogP: 3.18760
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Specification

The Benzenesulfonamide,3-(5-formyl-2-furanyl)-, with the CAS registry number 306935-94-4, has the systematic name of 3-(5-formylfuran-2-yl)benzenesulfonamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H9NO4S.

The characteristics of Benzenesulfonamide,3-(5-formyl-2-furanyl)- are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.76; (7)ACD/KOC (pH 5.5): 52.27; (8)ACD/KOC (pH 7.4): 52.14; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.97 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 61.34 cm3; (15)Molar Volume: 178.1 cm3; (16)Polarizability: 24.32×10-24cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 269.3 °C; (20)Enthalpy of Vaporization: 79.5 kJ/mol; (21)Boiling Point: 521.8 °C at 760 mmHg; (22)Vapour Pressure: 5.52E-11 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2oc(c1cc(ccc1)S(=O)(=O)N)cc2
(2)InChI: InChI=1/C11H9NO4S/c12-17(14,15)10-3-1-2-8(6-10)11-5-4-9(7-13)16-11/h1-7H,(H2,12,14,15)
(3)InChIKey: ALJNYCGSRQOCAN-UHFFFAOYAQ