1H-Indole-7-carboxaldehyde, 5-fluoro- supplier

Name
5-FLUORO-1H-INDOLE-7-CARBALDEHYDE
EINECS
CAS No. 603306-52-1
Article Data11
CAS DataBase
Density 1.385 g/cm³
Solubility
Melting Point
Formula C₉H₆FNO
Boiling Point 338 °C at 760 mmHg
Molecular Weight 163.151
Flash Point 158.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-FLUORO-INDOLE-7-CARBOXALDEHYDE;5-FLUORO-1H-INDOLE-7-CARBALDEHYDE;1H-Indole-7-carboxaldehyde,5-fluoro-(9CI);5-Fluoro-1H-indole-7-carboxaldehyde;5-Fluoro-7-formyl-1H-indole
PSA 32.86000
LogP 2.11950

1H-Indole-7-carboxaldehyde, 5-fluoro- Specification

This chemical is called 1H-Indole-7-carboxaldehyde, 5-fluoro-, and its CAS registry number is 603306-52-1. With the molecular formula of C₉H₆FNO, its molecular weight is 163.15. Additionally, its product category is Halide.

Other characteristics of the 1H-Indole-7-carboxaldehyde, 5-fluoro- can be summarised as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.42; (6)ACD/BCF (pH 7.4): 16.42; (7)ACD/KOC (pH 5.5): 257.94; (8)ACD/KOC (pH 7.4): 257.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.86 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 45.27 cm³; (15)Molar Volume: 117.7 cm³; (16)Polarizability: 17.94×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.385 g/cm³; (19)Flash Point: 158.2 °C; (20)Enthalpy of Vaporization: 58.13 kJ/mol; (21)Boiling Point: 338 °C at 760 mmHg; (22)Vapour Pressure: 0.000101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc2ccnc2c(c1)C=O
2.InChI: InChI=1/C9H6FNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H
3.InChIKey: ACKRNKKYYJVPEP-UHFFFAOYAF

Product Name

5-FLUORO-1H-INDOLE-7-CARBALDEHYDE

1H-Indole-7-carboxaldehyde, 5-fluoro- Specification

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