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227803-33-0

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Basic Information
CAS No.: 227803-33-0
Name: 5-CHLORO-2-(PHENYLMETHYL)-INDOLE
Article Data: 4
Molecular Structure:
Molecular Structure of 227803-33-0 (5-CHLORO-2-(PHENYLMETHYL)-INDOLE)
Formula: C15H12ClN
Molecular Weight: 241.72
Synonyms: 5-Chloro-2-(phenylmethyl)-indole;
Density: 1.25 g/cm3
Boiling Point: 412.6 °C at 760 mmHg
Flash Point: 235.7 °C
PSA: 15.79000
LogP: 4.41210
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Specification

The 1H-Indole,5-chloro-2-(phenylmethyl)-, with the CAS registry number 227803-33-0, is also known as 5-Chloro-2-(phenylmethyl)-indole. This chemical's molecular formula is C15H12ClN and molecular weight is 241.7155. Its systematic name is called 2-benzyl-5-chloro-1H-indole.

Physical properties of 1H-Indole,5-chloro-2-(phenylmethyl)-: (1)ACD/LogP: 4.92; (2)ACD/LogD (pH 5.5): 4.92; (3)ACD/LogD (pH 7.4): 4.92; (4)ACD/BCF (pH 5.5): 3208.9; (5)ACD/BCF (pH 7.4): 3208.9; (6)ACD/KOC (pH 5.5): 11257.55; (7)ACD/KOC (pH 7.4): 11257.55; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 72.73 cm3; (13)Molar Volume: 193.2 cm3; (14)Surface Tension: 51.5 dyne/cm; (15)Density: 1.25 g/cm3; (16)Flash Point: 235.7 °C; (17)Enthalpy of Vaporization: 63.94 kJ/mol; (18)Boiling Point: 412.6 °C at 760 mmHg; (19)Vapour Pressure: 1.22E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)nc(c2)Cc3ccccc3
(2)InChI: InChI=1/C15H12ClN/c16-13-6-7-15-12(9-13)10-14(17-15)8-11-4-2-1-3-5-11/h1-7,9-10,17H,8H2
(3)InChIKey: FIYMNUNPPYABMU-UHFFFAOYAX