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876694-43-8

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Basic Information
CAS No.: 876694-43-8
Name: 3-BROMO-N-CYCLOPROPYLBENZENESULPHONAMIDE 98
Article Data: 6
Molecular Structure:
Molecular Structure of 876694-43-8 (3-BROMO-N-CYCLOPROPYLBENZENESULPHONAMIDE 98)
Formula: C9H10BrNO2S
Molecular Weight: 276.154
Synonyms: 3-BROMO-N-CYCLOPROPYLBENZENESULPHONAMIDE 98;3-Bromo-N-cyclopropylbenzenesulphonamide 98%;N-Cycloypropyl 3-bromophenylsulfonamide
Density: 1.706g/cm3
Melting Point: 171°C
Boiling Point: 385.299 °C at 760 mmHg
Flash Point: 186.823 °C
Hazard Symbols: IrritantXi
PSA: 54.55000
LogP: 3.36150
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Specification

The Benzenesulfonamide,3-bromo-N-cyclopropyl-, with CAS registry number 876694-43-8, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Sulfonamides. It has the systematic name of 3-bromo-N-cyclopropylbenzenesulfonamide. This chemical should be kept cold. And the chemical formula of this chemical is C9H10BrNO2S.

Physical properties of Benzenesulfonamide,3-bromo-N-cyclopropyl-: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.55 Å2; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 58.769 cm3; (9)Molar Volume: 161.857 cm3; (10)Polarizability: 23.298×10-24cm3; (11)Surface Tension: 60.428 dyne/cm; (12)Density: 1.706 g/cm3; (13)Flash Point: 186.823 °C; (14)Enthalpy of Vaporization: 63.408 kJ/mol; (15)Boiling Point: 385.299 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1)NC2CC2
(2)InChI: InChI=1/C9H10BrNO2S/c10-7-2-1-3-9(6-7)14(12,13)11-8-4-5-8/h1-3,6,8,11H,4-5H2
(3)InChIKey: IUTJMJZYULYDMO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10BrNO2S/c10-7-2-1-3-9(6-7)14(12,13)11-8-4-5-8/h1-3,6,8,11H,4-5H2
(5)Std. InChIKey: IUTJMJZYULYDMO-UHFFFAOYSA-N