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CAS No.: | 28232-65-7 |
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Name: | 3-Bromo-5-(3-chlorophenoxy)pyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H7BrClNO |
Molecular Weight: | 284.54 |
Synonyms: | Pyridine,3-bromo-5-(m-chlorophenoxy)- (8CI);3-bromo-5-(3-chlorophenoxy)pyridine;Pyridine, 3-bromo-5-(3-chlorophenoxy)-; |
Density: | 1.569 g/cm3 |
Boiling Point: | 342.092 °C at 760 mmHg |
Flash Point: | 160.691 °C |
PSA: | 22.12000 |
LogP: | 4.28980 |
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The 3-Bromo-5-(3-chlorophenoxy)pyridine, with the cas registry number 28232-65-7, has the systematic name of 3-bromo-5-(3-chlorophenoxy)pyridine. And the molecular formula of the chemical is C11H7BrClNO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.293; (4)ACD/LogD (pH 7.4): 4.293; (5)ACD/BCF (pH 5.5): 1078.475; (6)ACD/BCF (pH 7.4): 1078.648; (7)ACD/KOC (pH 5.5): 5157.807; (8)ACD/KOC (pH 7.4): 5158.633; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 63.373 cm3; (15)Molar Volume: 181.38 cm3; (16)Polarizability: 25.123×10-24cm3; (17)Surface Tension: 48.603 dyne/cm; (18)Density: 1.569 g/cm3; (19)Flash Point: 160.691 °C; (20)Enthalpy of Vaporization: 56.263 kJ/mol; (21)Boiling Point: 342.092 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(cc(c1)Cl)Oc2cc(cnc2)Br
(2)InChI: InChI=1/C11H7BrClNO/c12-8-4-11(7-14-6-8)15-10-3-1-2-9(13)5-10/h1-7H
(3)InChIKey: NAWCDQFYAZDWIX-UHFFFAOYAF