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4044-98-8

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Basic Information
CAS No.: 4044-98-8
Name: 6-BROMO-2-PHENYL-IMIDAZO[1,2-A]PYRIDINE
Article Data: 39
Molecular Structure:
Molecular Structure of 4044-98-8 (6-BROMO-2-PHENYL-IMIDAZO[1,2-A]PYRIDINE)
Formula: C13H9BrN2
Molecular Weight: 273.132
Synonyms: Imidazo[1,2-a]pyridine, 6-bromo-2-phenyl-;
Density: 1.48 g/cm3
Melting Point: 201-202 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 17.30000
LogP: 3.76380
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Specification

The CAS registry number of 6-Bromo-2-phenylimidazo[1,2-a]pyridine is 4044-98-8. This chemical is also named as Imidazo[1,2-a]pyridine, 6-bromo-2-phenyl-. In addition, its molecular formula is C13H9BrN2 and molecular weight is 273.13. Its systematic name is called 6-bromo-2-phenylimidazo[1,2-a]pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.08; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 709.48; (6)ACD/BCF (pH 7.4): 830.22; (7)ACD/KOC (pH 5.5): 3652.89; (8)ACD/KOC (pH 7.4): 4274.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 69.37 cm3; (14)Molar Volume: 184.4 cm3; (15)Surface Tension: 49.5 dyne/cm; (16)Density: 1.48 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cn2cc(nc2cc1)c3ccccc3
(2)InChI: InChI=1/C13H9BrN2/c14-11-6-7-13-15-12(9-16(13)8-11)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: JECUQJPFGTUNCJ-UHFFFAOYAM