CAS No.101125-32-0,3-(4-FLUORO-PHENYL)-1H-INDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101125-32-0
Name:	3-(4-FLUORO-PHENYL)-1H-INDOLE
Article Data:	24

Formula:	C₁₄H₁₀FN
Molecular Weight:	211.239
Synonyms:	3-(4-Fluorophenyl)indole;
Density:	1.233 g/cm³
Melting Point:	96-98 °C
Boiling Point:	390.511 °C at 760 mmHg
Flash Point:	189.974 °C
PSA:	15.79000
LogP:	3.97400

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Specification

The 1H-Indole,3-(4-fluorophenyl)-, with the CAS registry number 101125-32-0, is also known as 3-(4-Fluorophenyl)-indole. This chemical's molecular formula is C₁₄H₁₀FN and molecular weight is 211.079728. Its IUPAC name is called 3-(4-fluorophenyl)-1H-indole.

Physical properties of 1H-Indole,3-(4-fluorophenyl)-: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 482.48; (6)ACD/BCF (pH 7.4): 482.48; (7)ACD/KOC (pH 5.5): 2900.26; (8)ACD/KOC (pH 7.4): 2900.26; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 63.11 cm³; (14)Molar Volume: 171.3 cm³; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.232 g/cm³; (17)Flash Point: 190 °C; (18)Enthalpy of Vaporization: 61.5 kJ/mol; (19)Boiling Point: 390.5 °C at 760 mmHg; (20)Vapour Pressure: 5.93E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=CC=C(C=C3)F
(2)InChI: InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H
(3)InChIKey: JFVIPMRWCFOHBG-UHFFFAOYSA-N