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452967-40-7

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Basic Information
CAS No.: 452967-40-7
Name: 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
Article Data: 3
Molecular Structure:
Molecular Structure of 452967-40-7 (6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine)
Formula: C14H11BrN2O
Molecular Weight: 303.158
Synonyms: 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;
Density: 1.47 g/cm3
PSA: 26.53000
LogP: 3.77240
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Specification

The 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine, with cas registry number 452967-40-7, has the systematic name of 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine. Besides this, it is also called imidazo[1,2-a]pyridine, 6-bromo-2-(4-methoxyphenyl)-. And the chemical formula of this chemical is C14H11BrN2O.

Physical properties about this chemical are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.53 Å2; (7)Index of Refraction: 1.649; (8)Molar Refractivity: 75.18 cm3; (9)Molar Volume: 206.1 cm3; (10)Polarizability: 29.8×10-24cm3; (11)Surface Tension: 46.9 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cn2cc(nc2cc1)c3ccc(OC)cc3
(2)InChI: InChI=1/C14H11BrN2O/c1-18-12-5-2-10(3-6-12)13-9-17-8-11(15)4-7-14(17)16-13/h2-9H,1H3
(3)InChIKey: PHOOUPYIXZOYQJ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H11BrN2O/c1-18-12-5-2-10(3-6-12)13-9-17-8-11(15)4-7-14(17)16-13/h2-9H,1H3
(5)Std. InChIKey: PHOOUPYIXZOYQJ-UHFFFAOYSA-N