4-Fluoroindole-3-acetic acid supplier

Name
(4-Fluoro-1h-indol-3-yl)-acetic acid
EINECS
CAS No. 89434-03-7
Article Data7
CAS DataBase
Density 1.447 g/cm³
Solubility
Melting Point
Formula C₁₀H₈FNO₂
Boiling Point 417.867 °C at 760 mmHg
Molecular Weight 193.177
Flash Point 206.519 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-FLUOROINDOLE-3-ACETIC ACID;4-F-IAA;(4-FLUORO-1H-INDOL-3-YL)-ACETIC ACID;4-FLUORO-3-INDOLEACETIC ACID;2-(4-fluoro-1H-indol-3-yl)acetic acid;1H-Indole-3-acetic acid, 4-fluoro-;4-fluoro-1H-Indole-3-acetic acid
PSA 53.09000
LogP 1.93410

4-Fluoroindole-3-acetic acid Specification

The (4-Fluoro-1h-indol-3-yl)-acetic acid, with CAS registry number 89434-03-7, belongs to the following product category: pharmacetical. It has the systematic name of (4-fluoro-1H-indol-3-yl)acetic acid. Besides this, it is also called 1H-indole-3-acetic acid, 4-fluoro-. And the chemical formula of this chemical is C₁₀H₈FNO₂.

Physical properties of (4-Fluoro-1h-indol-3-yl)-acetic acid: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.09 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 49.636 cm³; (15)Molar Volume: 133.524 cm³; (16)Polarizability: 19.677×10^-24cm³; (17)Surface Tension: 63.031 dyne/cm; (18)Enthalpy of Vaporization: 70.778 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc2c1c(cn2)CC(=O)O
(2)InChI: InChI=1/C10H8FNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
(3)InChIKey: QBQZALKPPLUCQY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H8FNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
(5)Std. InChIKey: QBQZALKPPLUCQY-UHFFFAOYSA-N

Product Name

(4-Fluoro-1h-indol-3-yl)-acetic acid

4-Fluoroindole-3-acetic acid Specification

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