Name: 6-CHLOROINDOXYL-1,3-DIACETATE
SKU: 108761-33-7

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Basic Information

Molecular Structure:
CAS No.:	108761-33-7
Name:	6-CHLOROINDOXYL-1,3-DIACETATE
Article Data:	10

Formula:	C₁₂H₁₀ClNO₃
Molecular Weight:	251.669
Synonyms:	1H-Indol-3-ol,1-acetyl-6-chloro-, acetate (ester) (9CI);Indoxyl, 1-acetyl-6-chloro-, acetate(6CI);6-Chloro-3-acetoxy-1-acetylindole;
Density:	1.337 g/cm³
Melting Point:	111-113 °C(Solv: ethyl acetate (141-78-6))
Boiling Point:	376.951 °C at 760 mmHg
Flash Point:	181.774 °C
PSA:	48.30000
LogP:	2.88010

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Specification

This chemical is called Ethanone,1-[3-(acetyloxy)-6-chloro-1H-indol-1-yl]-, and its systematic name is 1-acetyl-6-chloro-1H-indol-3-yl acetate. With the molecular formula of C₁₂H₁₀ClNO₃, its molecular weight is 251.67. The CAS registry number of this chemical is 108761-33-7. Additionally, it should be stored at -20°C.

Other characteristics of the Ethanone,1-[3-(acetyloxy)-6-chloro-1H-indol-1-yl]- can be summarised as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 337; (8)ACD/KOC (pH 7.4): 337; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.3 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 64.028 cm³; (15)Molar Volume: 188.215 cm³; (16)Polarizability: 25.383×10^-24cm³; (17)Surface Tension: 44.644 dyne/cm; (18)Density: 1.337 g/cm³; (19)Flash Point: 181.774 °C; (20)Enthalpy of Vaporization: 62.466 kJ/mol; (21)Boiling Point: 376.951 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C..

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc2c(c1)n(cc2OC(=O)C)C(=O)C
2.InChI: InChI=1/C12H10ClNO3/c1-7(15)14-6-12(17-8(2)16)10-4-3-9(13)5-11(10)14/h3-6H,1-2H3
3.InChIKey: XOHGAYIKCAZFFX-UHFFFAOYAP