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98612-93-2

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Basic Information
CAS No.: 98612-93-2
Name: (4-BROMO-PHENYL)-PIPERIDIN-1-YL-METHANONE
Article Data: 33
Molecular Structure:
Molecular Structure of 98612-93-2 ((4-BROMO-PHENYL)-PIPERIDIN-1-YL-METHANONE)
Formula: C12H14BrNO
Molecular Weight: 268.153
Synonyms: Piperidine,1-(4-bromobenzoyl)- (9CI);(4-bromophenyl)(piperidin-1-yl)methanone;(4-Bromo-phenyl)-piperidin-1-yl-methanone;(4-bromophenyl)-piperidin-1-ylmethanone;
Density: 1.406 g/cm3
Boiling Point: 378.6 °C at 760 mmHg
Flash Point: 182.8 °C
PSA: 20.31000
LogP: 3.01310
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Specification

The Methanone,(4-bromophenyl)-1-piperidinyl-, with the CAS registry number 98612-93-2, has the systematic name of (4-bromophenyl)(piperidin-1-yl)methanone. It belongs to the product category of Piperidine. And the molecular formula of the chemical is C12H14BrNO.

The characteristics of Methanone,(4-bromophenyl)-1-piperidinyl- are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 63.96 cm3; (9)Molar Volume: 190.7 cm3; (10)Polarizability: 25.35×10-24cm3; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.406 g/cm3; (13)Flash Point: 182.8 °C; (14)Enthalpy of Vaporization: 62.66 kJ/mol; (15)Boiling Point: 378.6 °C at 760 mmHg; (16)Vapour Pressure: 6.2E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)N2CCCCC2
(2)InChI: InChI=1/C12H14BrNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
(3)InChIKey: IXWFXRPZWAIOTO-UHFFFAOYAG