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871269-12-4

Basic Information
CAS No.: 871269-12-4
Name: 1-(3-BROMOPHENYLSULFONYL)PIPERIDINE
Article Data: 5
Molecular Structure:
Molecular Structure of 871269-12-4 (1-(3-BROMOPHENYLSULFONYL)PIPERIDINE)
Formula: C11H14BrNO2S
Molecular Weight: 304.208
Synonyms: 1-[(3-Bromophenyl)sulfonyl]piperidine;
Density: 1.513g/cm3
Melting Point: 80-84 °C
Boiling Point: 407.4 °C at 760 mmHg
Flash Point: 200.2 °C
Hazard Symbols: IrritantXi
PSA: 45.76000
LogP: 3.64240
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Specification

The Piperidine,1-[(3-bromophenyl)sulfonyl]-, with CAS registry number 871269-12-4, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Heterocycles; (4)Sulfonamides. It has the systematic name of 1-[(3-bromophenyl)sulfonyl]piperidine. This chemical should be kept cold. And the chemical formula of this chemical is C11H14BrNO2S.

Physical properties of Piperidine,1-[(3-bromophenyl)sulfonyl]-: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 68.28 cm3; (9)Molar Volume: 200.9 cm3; (10)Polarizability: 27.06×10-24cm3; (11)Surface Tension: 48.9 dyne/cm; (12)Density: 1.513 g/cm3; (13)Flash Point: 200.2 °C; (14)Enthalpy of Vaporization: 65.93 kJ/mol; (15)Boiling Point: 407.4 °C at 760 mmHg; (16)Vapour Pressure: 7.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cccc(Br)c1)N2CCCCC2
(2)InChI: InChI=1/C11H14BrNO2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
(3)InChIKey: LUWHLKYMEKGKAT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H14BrNO2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
(5)Std. InChIKey: LUWHLKYMEKGKAT-UHFFFAOYSA-N