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183208-58-4

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Basic Information
CAS No.: 183208-58-4
Name: 1-(2-Bromoethyl)-1H-pyrrolo[2,3-b]pyridine
Molecular Structure:
Molecular Structure of 183208-58-4 (1-(2-Bromoethyl)-1H-pyrrolo[2,3-b]pyridine)
Formula: C9H9BrN2
Molecular Weight: 225.088
Synonyms: 1-(2-Bromoethyl)-1H-pyrrolo[2,3-b]pyridine;
Density: 1.517 g/cm3
Boiling Point: 328.715 °C at 760 mmHg
Flash Point: 152.602 °C
PSA: 17.82000
LogP: 2.43120
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  • 1-(2-Bromoethyl)-1H-pyrrolo[2,3-b]pyridine

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Specification

The 1-(2-Bromoethyl)-1H-pyrrolo[2,3-b]pyridine with the CAS number 183208-58-4 is also called 1H-Pyrrolo[2,3-b]pyridine,1-(2-bromoethyl)-. Its molecular formula is C9H9BrN2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.611; (4)ACD/LogD (pH 7.4): 1.706; (5)ACD/BCF (pH 5.5): 9.356; (6)ACD/BCF (pH 7.4): 11.644; (7)ACD/KOC (pH 5.5): 161.932; (8)ACD/KOC (pH 7.4): 201.538; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 53.489 cm3; (15)Molar Volume: 148.404 cm3; (16)Polarizability: 21.205×10-24cm3; (17)Surface Tension: 47.531 dyne/cm; (18)Enthalpy of Vaporization: 54.845 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccn(c2nc1)CCBr
(2)InChI: InChI=1/C9H9BrN2/c10-4-7-12-6-3-8-2-1-5-11-9(8)12/h1-3,5-6H,4,7H2
(3)InChIKey: XXDLBQSNCHTELP-UHFFFAOYAP