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Pyridine,4-(3-bromo-4-methoxyphenyl)- (191602-60-5)

Identification
Name:Pyridine,4-(3-bromo-4-methoxyphenyl)-
Synonyms:4-(3-Bromo-4-methoxyphenyl)pyridine;
CAS:191602-60-5
Molecular Formula: C12H10BrNO
Molecular Weight: 264.12
InChI: InChI=1/C12H10BrNO/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,1H3
Molecular Structure: (C12H10BrNO) 4-(3-Bromo-4-methoxyphenyl)pyridine;
Properties
Density:1.403g/cm3
Refractive index:1.587
Appearance:Light yellow liquid
Specification:

The 4-(3-Bromo-4-methoxyphenyl)pyridine with cas registry number of 191602-60-5, its systematic name is 4-(3-bromo-4-methoxyphenyl)pyridine. And it is also named pyridine, 4-(3-bromo-4-methoxyphenyl)-; 4-(3-Bromo-4-methoxyphenyl)pyridine, 95+%.

Physical properties about this chemical are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 61.96; (6)ACD/BCF (pH 7.4): 90.95; (7)ACD/KOC (pH 5.5): 597.46; (8)ACD/KOC (pH 7.4): 876.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 63.3 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 25.09×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 56.21 kJ/mol; (19)Vapour Pressure: 0.000157 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:COc1ccc(cc1Br)c2ccncc2;
(2)InChI:InChI=1/C12H10BrNO/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,1H3;
(3)InChIKey:JOCCQFWHBVVRNV-UHFFFAOYAY;
(4)Std. InChI:InChI=1S/C12H10BrNO/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,1H3;
(5)Std. InChIKey:JOCCQFWHBVVRNV-UHFFFAOYSA-N.

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