CAS No.324-03-8,6-FLUOROISATIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	324-03-8
Name:	6-FLUOROISATIN
Article Data:	20

Formula:	C₈H₄FNO₂
Molecular Weight:	165.124
Synonyms:	Isatin,6-fluoro- (6CI);6-Fluoro-1H-indole-2,3-dione;6-Fluoro-2,3-indoledione;6-Fluoroisatin;NSC 650911;6-fluoro-1H-indole-2,3-dione;1H-indole-2,3-dione, 6-fluoro-;6-Fluoroisatin;
EINECS:	1533716-785-6
Density:	1.477 g/cm³
Melting Point:	195-196 °C(Solv: acetic acid (64-19-7))
PSA:	46.17000
LogP:	1.09850

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Specification

The 1H-Indole-2,3-dione,6-fluoro-, with the CAS registry number 324-03-8, has the systematic name of 6-fluoro-1H-indole-2,3-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₄FNO₂.

The characteristics of 1H-Indole-2,3-dione,6-fluoro- are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.67; (6)ACD/BCF (pH 7.4): 3.55; (7)ACD/KOC (pH 5.5): 88.24; (8)ACD/KOC (pH 7.4): 85.36; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 37.41 cm³; (15)Molar Volume: 111.7 cm³; (16)Polarizability: 14.83×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.477 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc2c(c1)NC(=O)C2=O
(2)InChI: InChI=1/C8H4FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
(3)InChIKey: CWVFOAVBTUHQCZ-UHFFFAOYAU