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944937-53-5

Basic Information
CAS No.: 944937-53-5
Name: 6-Bromo-1H-pyrrolo[3,2-b]pyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 944937-53-5 (6-Bromo-1H-pyrrolo[3,2-b]pyridine)
Formula: C7H5BrN2
Molecular Weight: 197.034
Synonyms: 6-Bromo-1H-pyrrolo[3,2-b]pyridine;
Density: 1.77 g/cm3
Boiling Point: 311.3 °C at 760 mmHg
Flash Point: 142.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 22-36/37/38
Safety: 26
PSA: 28.68000
LogP: 2.32540
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Specification

The 6-Bromo-1H-pyrrolo[3,2-b]pyridine is an organic compound with the formula C7H5BrN2. The IUPAC name of this chemical is 6-bromo-1H-pyrrolo[3,2-b]pyridine. With the CAS registry number 944937-53-5, it is also named as 6-bromopyrrolo[3,2-b]pyridine.

Physical properties about 6-Bromo-1H-pyrrolo[3,2-b]pyridine are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.72; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Polar Surface Area: 28.68 Å2; (7)Index of Refraction: 1.727; (8)Molar Refractivity: 44.3 cm3; (9)Molar Volume: 111.2 cm3; (10)Polarizability: 17.56×10-24cm3; (11)Surface Tension: 64.4 dyne/cm; (12)Density: 1.77 g/cm3; (13)Flash Point: 142.1 °C; (14)Enthalpy of Vaporization: 53.02 kJ/mol; (15)Boiling Point: 311.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00104 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2nccc2nc1
(2)InChI: InChI=1/C7H5BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
(3)InChIKey: OJFFFCVPCVATIV-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
(5)Std. InChIKey: OJFFFCVPCVATIV-UHFFFAOYSA-N