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481630-48-2

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Basic Information
CAS No.: 481630-48-2
Name: 1-benzyl-4-bromo-indole
Article Data: 6
Molecular Structure:
Molecular Structure of 481630-48-2 (1-benzyl-4-bromo-indole)
Formula: C15H12BrN
Molecular Weight: 286.171
Synonyms: 1-Benzyl-4-brom-indol;1-BENZYL-4-BROMO-1H-INDOLE;I14-9988;1-benzyl-4-bromo-indole;4-bromo-1-benzylindole;
Density: 1.351 g/cm3
Boiling Point: 425.292 °C at 760 mmHg
Flash Point: 211.009 °C
PSA: 4.93000
LogP: 4.45210
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Specification

The 1-Benzyl-4-bromo-indole, with the CAS registry number 481630-48-2, has molecular formula C15H12BrN. In addition, this chemical's molecular weight is 286.1665. Its systematic name is called 1-benzyl-4-bromo-1H-indole.

Physical properties of 481630-48-2: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3836; (6)ACD/BCF (pH 7.4): 3836; (7)ACD/KOC (pH 5.5): 12791; (8)ACD/KOC (pH 7.4): 12791; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 75.539 cm3; (13)Molar Volume: 211.895 cm3; (14)Surface Tension: 44.334 dyne/cm; (15)Density: 1.351 g/cm3; (16)Flash Point: 211.009 °C; (17)Enthalpy of Vaporization: 65.36 kJ/mol; (18)Boiling Point: 425.292 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cccc2c3ccn2Cc1ccccc1
(2)InChI: InChI=1/C15H12BrN/c16-14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h1-10H,11H2
(3)InChIKey: NLHDUFSIMDYGHG-UHFFFAOYAI