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871269-18-0

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Basic Information
CAS No.: 871269-18-0
Name: 5-BROMO-N-BUTYL-2-METHOXYBENZENESULFONAMIDE
Molecular Structure:
Molecular Structure of 871269-18-0 (5-BROMO-N-BUTYL-2-METHOXYBENZENESULFONAMIDE)
Formula: C11H16BrNO3S
Molecular Weight: 322.22
Synonyms: 5-BROMO-N-BUTYL-2-METHOXYBENZENESULFONAMIDE;5-BROMO-N-BUTYL-2-METHOXYBENZENESULPHONAMIDE;5-Bromo-N-butyl-2-methoxybenzenesulphonamide 98%
Density: 1.402g/cm3
Melting Point: 93-96°C
Boiling Point: 421.1 °C at 760 mmHg
Flash Point: 208.5 °C
Hazard Symbols: IrritantXi
PSA: 63.78000
LogP: 4.00780
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Specification

The Benzenesulfonamide,5-bromo-N-butyl-2-methoxy-, with CAS registry number 871269-18-0, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Sulfonamides. It has the systematic name of 5-bromo-N-butyl-2-methoxybenzenesulfonamide. This chemical should be kept cold. And the chemical formula of this chemical is C11H16BrNO3S.

Physical properties of Benzenesulfonamide,5-bromo-N-butyl-2-methoxy-: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 54.99 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 71.82 cm3; (9)Molar Volume: 229.7 cm3; (10)Polarizability: 28.47×10-24cm3; (11)Surface Tension: 41 dyne/cm; (12)Density: 1.402 g/cm3; (13)Flash Point: 208.5 °C; (14)Enthalpy of Vaporization: 67.51 kJ/mol; (15)Boiling Point: 421.1 °C at 760 mmHg; (16)Vapour Pressure: 2.67E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1)S(=O)(=O)NCCCC
(2)InChI: InChI=1/C11H16BrNO3S/c1-3-4-7-13-17(14,15)11-8-9(12)5-6-10(11)16-2/h5-6,8,13H,3-4,7H2,1-2H3
(3)InChIKey: ZJAXDELRBUTLDO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H16BrNO3S/c1-3-4-7-13-17(14,15)11-8-9(12)5-6-10(11)16-2/h5-6,8,13H,3-4,7H2,1-2H3
(5)Std. InChIKey: ZJAXDELRBUTLDO-UHFFFAOYSA-N