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CAS No.: | 58254-76-5 |
---|---|
Name: | 5-CHLORO-2-PHENYLPYRIDINE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C11H8ClN |
Molecular Weight: | 189.644 |
Synonyms: | 5-Chloro-2-phenylpyridine; |
Density: | 1.186 g/cm3 |
Boiling Point: | 290 °C at 760 mmHg |
Flash Point: | 156.8 °C |
PSA: | 12.89000 |
LogP: | 3.40200 |
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This chemical is called Pyridine, 5-chloro-2-phenyl-, and its systematic name is 5-chloro-2-phenylpyridine. With the molecular formula of C11H8ClN, its molecular weight is 189.64. The CAS registry number of this chemical is 58254-76-5.
Other characteristics of the Pyridine, 5-chloro-2-phenyl- can be summarised as followings: (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): 245.82; (6)ACD/BCF (pH 7.4): 245.93; (7)ACD/KOC (pH 5.5): 1789.59; (8)ACD/KOC (pH 7.4): 1790.38; (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: 1.588; (14)Molar Refractivity: 53.83 cm3; (15)Molar Volume: 159.8 cm3; (16)Polarizability: 21.34×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 156.8 °C; (20)Enthalpy of Vaporization: 50.81 kJ/mol; (21)Boiling Point: 290 °C at 760 mmHg; (22)Vapour Pressure: 0.00369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2cnc(c1ccccc1)cc2
2.InChI: InChI=1/C11H8ClN/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H
3.InChIKey: UCMPFHHXFOSHSE-UHFFFAOYAM