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| CAS No.: | 52310-42-6 |
|---|---|
| Name: | 3-Bromo-6-nitroimidazo[1,2-a]pyridine |
| Molecular Structure: | |
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| Formula: | C7H4BrN3O2 |
| Molecular Weight: | 242.032 |
| Synonyms: | 3-Bromo-6-nitroimidazo[1,2-a]pyridine |
| Density: | 1.99 g/cm3 |
| Melting Point: | 140-142 °C |
| PSA: | 63.12000 |
| LogP: | 2.52820 |
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Specification
The 3-Bromo-6-nitroimidazo[1, 2-a]pyridine has CAS registry number 52310-42-6. This chemical's molecular formula is C7H4BrN3O2 and molecular weight is 242.032. What's more, its systematic name is 3-Bromo-6-nitroimidazo[1, 2-a]pyridine.
Physical properties about 3-Bromo-6-nitroimidazo[1, 2-a]pyridine are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 311; (8)ACD/KOC (pH 7.4): 311; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.12 Å2; (13)Index of Refraction: 1.757; (14)Molar Refractivity: 49.93 cm3; (15)Molar Volume: 121.642 cm3; (16)Polarizability: 19.794×10-24 cm3; (17)Surface Tension: 74.945 dyne/cm; (18)Density: 1.99 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cn2c(Br)cnc2cc1
(2) InChI: InChI=1/C7H4BrN3O2/c8-6-3-9-7-2-1-5(11(12)13)4-10(6)7/h1-4H
(3) InChIKey: LEZQAJJLSXPPRZ-UHFFFAOYAT