5-Chloro-1-(4-fluorophenyl)-1H-indole supplier

Name
5-CHLORO-1-(4-FLUORO-PHENYL)-1H-INDOLE
EINECS
CAS No. 138900-22-8
Article Data4
CAS DataBase
Density 1.257 g/cm³
Solubility
Melting Point
Formula C₁₄H₉ClFN
Boiling Point 356.564 °C at 760 mmHg
Molecular Weight 245.684
Flash Point 169.444 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-indole,5-chloro-1-(4-fluorophenyl)-;
PSA 4.93000
LogP 4.42300

5-Chloro-1-(4-fluorophenyl)-1H-indole Specification

The IUPAC name of this chemical is 5-Chloro-1-(4-fluorophenyl)-1H-indole. With the CAS registry number 138900-22-8, it is also named as 1H-indole,5-chloro-1-(4-fluorophenyl)-. In addition, the formula is C₁₄H₉ClFN and the molecular weight is 245.6794.

Physical properties about 5-Chloro-1-(4-fluorophenyl)-1H-indole are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 7516; (6)ACD/BCF (pH 7.4): 7516; (7)ACD/KOC (pH 5.5): 20703; (8)ACD/KOC (pH 7.4): 20703; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 67.844 cm³; (15)Molar Volume: 195.454 cm³; (16)Polarizability: 26.896 ×10^-24cm³; (17)Surface Tension: 40.688 dyne/cm; (18)Density: 1.257 g/cm³; (19)Flash Point: 169.444 °C; (20)Enthalpy of Vaporization: 60.184 kJ/mol; (21)Boiling Point: 356.564 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)n3c2ccc(Cl)cc2cc3
(2)InChI: InChI=1/C14H9ClFN/c15-11-1-6-14-10(9-11)7-8-17(14)13-4-2-12(16)3-5-13/h1-9H
(3)InChIKey: JYEKQDWSLSXYTJ-UHFFFAOYAF

Product Name

5-CHLORO-1-(4-FLUORO-PHENYL)-1H-INDOLE

5-Chloro-1-(4-fluorophenyl)-1H-indole Specification

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