CAS No.101125-34-2,3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1H-INDOLE-2-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101125-34-2
Name:	3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1H-INDOLE-2-CARBALDEHYDE
Article Data:	4

Formula:	C₁₈H₁₆FNO
Molecular Weight:	281.33
Synonyms:	3-(4-Fluorophenyl)-1-isopropyl-1H-indole-2-carboxaldehyde;2-Formyl-3-(4-fluorophenyl)-1-N-isopropyl indole;
Density:	1.14 g/cm³
Melting Point:	90-91℃ (isopropanol )
Boiling Point:	450 °C at 760 mmHg
Flash Point:	225.9 °C
PSA:	22.00000
LogP:	4.84080

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Specification

The 1H-Indole-2-carboxaldehyde, 3-(4-fluorophenyl)-1-(1-methylethyl)-, with the CAS registry number 101125-34-2, is also known as 2-Formyl-3-(4-fluorophenyl)-1-N-isopropyl indole. This chemical's molecular formula is C₁₈H₁₆FNO and molecular weight is 281.32. What's more, its IUPAC name is 3-(4-Fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde.

Physical properties about 1H-Indole-2-carboxaldehyde, 3-(4-fluorophenyl)-1-(1-methylethyl)- are: (1)ACD/LogP: 3.86; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 508.12; (6)ACD/BCF (pH 7.4): 508.12; (7)ACD/KOC (pH 5.5): 3009.77; (8)ACD/KOC (pH 7.4): 3009.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12) Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 82.16 cm³; (15)Molar Volume: 246 cm³; (16)Polarizability: 32.57×10^-24 cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 225.9 °C; (20)Enthalpy of Vaporization: 70.88 kJ/mol; (21)Boiling Point: 450 °C at 760 mmHg; (22)Vapour Pressure: 2.74E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc3ccc(c2c1ccccc1n(c2C=O)C(C)C)cc3
(2) InChI: InChI=1/C18H16FNO/c1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13/h3-12H,1-2H3
(3) InChIKey: NPWWALYZZIFFPB-UHFFFAOYAM