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| CAS No.: | 1000341-51-4 |
|---|---|
| Name: | 5-Bromo-4-azaindole |
| Molecular Structure: | |
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| Formula: | C7H5BrN2 |
| Molecular Weight: | 197.034 |
| Synonyms: | 5-Bromo-4-azaindole; |
| Density: | 1.77 g/cm3 |
| Boiling Point: | 332.2 °C at 760 mmHg |
| Flash Point: | 154.7 °C |
| PSA: | 28.68000 |
| LogP: | 2.32540 |
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Specification
The 1H-Pyrrolo[3,2-b]pyridine,5-bromo-, with the CAS registry number 1000341-51-4, is also known as 5-Bromo-4-azaindole. This chemical's molecular formula is C7H5BrN2 and molecular weight is 197.03. What's more, its systematic name is called 5-Bromo-1H-pyrrolo[3,2-b]pyridine.
Physical properties about 1H-Pyrrolo[3,2-b]pyridine,5-bromo- are: (1)ACD/LogP: 1.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 8.85; (6)ACD/BCF (pH 7.4): 10.27; (7)ACD/KOC (pH 5.5): 158.87; (8)ACD/KOC (pH 7.4): 184.3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68Å2; (13)Index of Refraction: 1.727; (14)Molar Refractivity: 44.3 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 17.56×10-24 cm3; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.77 g/cm3; (19)Flash Point: 154.7 °C; (20)Enthalpy of Vaporization: 55.22 kJ/mol; (21)Boiling Point: 332.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000286 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc2c1[nH]cc2)Br
(2) InChI: InChI=1/C7H5BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H
(3) InChIKey: KJTANNMEOBCHKP-UHFFFAOYAW