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89840-72-2

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Basic Information
CAS No.: 89840-72-2
Name: N-BUTYL 3-NITROBENZENESULFONAMIDE
Molecular Structure:
Molecular Structure of 89840-72-2 (N-BUTYL 3-NITROBENZENESULFONAMIDE)
Formula: C10H14N2O4S
Molecular Weight: 258.298
Synonyms: ZINC04071517;AC1MDP9U;
Density: 1.282 g/cm3
Boiling Point: 399.3 °C at 760 mmHg
Flash Point: 195.3 °C
PSA: 100.37000
LogP: 3.66810
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Specification

The Benzenesulfonamide,N-butyl-3-nitro-, with the CAS registry number 89840-72-2, is also known as Butyl[(3-nitrophenyl)sulfonyl]amine. It belongs to the product categories of Blocks; Nitro Compounds; Sulfonamides. This chemical's molecular formula is C10H14N2O4S and molecular weight is 258.29416. Its IUPAC name is called N-butyl-3-nitrobenzenesulfonamide.

Physical properties of Benzenesulfonamide,N-butyl-3-nitro-: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.76; (5)ACD/BCF (pH 7.4): 77.71; (6)ACD/KOC (pH 5.5): 785.23; (7)ACD/KOC (pH 7.4): 784.74; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 63.77 cm3; (13)Molar Volume: 201.3 cm3; (14)Surface Tension: 47.5 dyne/cm; (15)Density: 1.282 g/cm3; (16)Flash Point: 195.3 °C; (17)Enthalpy of Vaporization: 65 kJ/mol; (18)Boiling Point: 399.3 °C at 760 mmHg; (19)Vapour Pressure: 1.38E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
(2)InChI: InChI=1S/C10H14N2O4S/c1-2-3-7-11-17(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
(3)InChIKey: OZIMAACTQKBWTF-UHFFFAOYSA-N