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91182-50-2

Basic Information
CAS No.: 91182-50-2
Name: 3-BROMO-2-PHENYLPYRIDINE
Article Data: 10
Molecular Structure:
Molecular Structure of 91182-50-2 (3-BROMO-2-PHENYLPYRIDINE)
Formula: C11H8BrN
Molecular Weight: 234.095
Synonyms: 3-Bromo-2-phenyl-pyridine;
Density: 1.426 g/cm3
Boiling Point: 296.1 °C at 760 mmHg
Flash Point: 132.9 °C
PSA: 12.89000
LogP: 3.51110
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Specification

This chemical is called Pyridine,3-bromo-2-phenyl-, and it can also be named as 3-Bromo-2-phenylpyridine. With the molecular formula of C11H8BrN, its molecular weight is 234.09. The CAS registry number of this chemical is 91182-50-2.

Other characteristics of the Pyridine,3-bromo-2-phenyl- can be summarised as follows: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 247.59; (6)ACD/BCF (pH 7.4): 247.69; (7)ACD/KOC (pH 5.5): 1798.87; (8)ACD/KOC (pH 7.4): 1799.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 56.62 cm3; (15)Molar Volume: 164.1 cm3; (16)Polarizability: 22.44×10-24 cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 51.44 kJ/mol; (21)Boiling Point: 296.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00258 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc2cccnc2c1ccccc1
2.InChI: InChI=1/C11H8BrN/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H
3.InChIKey: QODMOFYNGFSWSQ-UHFFFAOYAZ