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2-Bromocarbazole (3652-90-2)

Identification
Name:2-Bromocarbazole
Synonyms:9H-Carbazole, 2-bromo-;2-Bromocarbazole;
CAS:3652-90-2
Molecular Formula: C12H8BrN
Molecular Weight: 246.10
InChI: InChI=1/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H
Molecular Structure: (C12H8BrN) 9H-Carbazole, 2-bromo-;2-Bromocarbazole;
Properties
Density:1.617 g/cm3
Refractive index:1.784
Specification:

The 2-Bromocarbazole with the CAS number 3652-90-2 is also called 9H-Carbazole, 2-bromo-. The systematic name is 2-bromo-9H-carbazole. Its molecular formula is C12H8BrN. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Bromocarbazole are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1527; (6)ACD/BCF (pH 7.4): 1527; (7)ACD/KOC (pH 5.5): 6614; (8)ACD/KOC (pH 7.4): 6614; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 64.061 cm3; (15)Molar Volume: 152.172 cm3; (16)Polarizability: 25.396×10-24cm3; (17)Surface Tension: 60.866 dyne/cm; (18)Enthalpy of Vaporization: 63.566 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2c3ccccc3nc2c1
(2)InChI: InChI=1/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H
(3)InChIKey: PJRGCJBBXGNEGD-UHFFFAOYAK

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