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77801-60-6

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Basic Information
CAS No.: 77801-60-6
Name: 1-Benzyl-4-chloroindole
Article Data: 6
Molecular Structure:
Molecular Structure of 77801-60-6 (1-Benzyl-4-chloroindole)
Formula: C15H12ClN
Molecular Weight: 241.72
Synonyms: 4-chloro-1-benzyl-1H-indole;N-benzyl-4-chloro-indole;1-Benzyl-4-chloro-1H-indole;
Density: 1.15 g/cm3
Boiling Point: 407.1 °C at 760 mmHg
Flash Point: 200 °C
PSA: 4.93000
LogP: 4.34300
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Specification

The CAS registry number of 1H-Indole, 4-chloro-1-(phenylmethyl)- is 77801-60-6. This chemical's molecular formula is C15H12ClN and molecular weight is 241.72. Its systematic name is called 1-benzyl-4-chloro-1H-indole.

Physical properties of 1H-Indole, 4-chloro-1-(phenylmethyl)-: (1)ACD/LogP: 4.84; (2)ACD/LogD (pH 5.5): 4.84; (3)ACD/LogD (pH 7.4): 4.84; (4)ACD/BCF (pH 5.5): 2815.72; (5)ACD/BCF (pH 7.4): 2815.72; (6)ACD/KOC (pH 5.5): 10252.05; (7)ACD/KOC (pH 7.4): 10252.05; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 72.58 cm3; (12)Molar Volume: 208.6 cm3; (13)Surface Tension: 42.2 dyne/cm; (14)Density: 1.15 g/cm3; (15)Flash Point: 200 °C; (16)Enthalpy of Vaporization: 63.33 kJ/mol; (17)Boiling Point: 407.1 °C at 760 mmHg; (18)Vapour Pressure: 1.83E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cccc2c3ccn2Cc1ccccc1
(2)InChI: InChI=1/C15H12ClN/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: CEVSDITYZCPHRU-UHFFFAOYAY