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Ethyl 5,7-dichloro-1H-indole-2-carboxylate

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Name

Ethyl 5,7-dichloro-1H-indole-2-carboxylate

EINECS N/A
CAS No. 4792-70-5 Density 1.432 g/cm3
PSA 42.09000 LogP 3.65140
Solubility N/A Melting Point N/A
Formula C11H9Cl2NO2 Boiling Point 405 °C at 760 mmHg
Molecular Weight 258.10 Flash Point 198.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4792-70-5 (5,7-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER) Hazard Symbols Xi
Synonyms

1H-indole-2-carboxylic acid, 5,7-dichloro-, ethyl ester;5,7-Dichloro-1H-indole-2-carboxylic; acid ethyl ester;

Article Data 10

Ethyl 5,7-dichloro-1H-indole-2-carboxylate Specification

The Ethyl 5,7-dichloro-1H-indole-2-carboxylate with the cas number 4792-70-5 is also called 1H-indole-2-carboxylic acid, 5,7-dichloro-, ethyl ester. Its molecular formula is C11H9Cl2NO2. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3741.42; (6)ACD/BCF (pH 7.4): 3741.39; (7)ACD/KOC (pH 5.5): 12565.31; (8)ACD/KOC (pH 7.4): 12565.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 64.72 cm3; (15)Molar Volume: 180.1 cm3; (16)Polarizability: 25.65×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Enthalpy of Vaporization: 65.65 kJ/mol; (19)Vapour Pressure: 9.06×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(c(Cl)c1)nc(c2)C(=O)OCC
(2)InChI: InChI=1/C11H9Cl2NO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3-5,14H,2H2,1H3
(3)InChIKey: CJYGKZGQACYLTI-UHFFFAOYAZ

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