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1H-Indole-2-carboxylicacid, 6-chloro-5-fluoro-, ethyl ester (169674-00-4)

Identification
Name:1H-Indole-2-carboxylicacid, 6-chloro-5-fluoro-, ethyl ester
Synonyms:6-Chloro-5-fluoro-1H-indole-2-carboxylicacid ethyl ester;
CAS:169674-00-4
Molecular Formula: C11H9ClFNO2
Molecular Weight: 241.65
InChI: InChI=1/C11H9ClFNO2/c1-2-16-11(15)10-4-6-3-8(13)7(12)5-9(6)14-10/h3-5,14H,2H2,1H3
Molecular Structure: (C11H9ClFNO2) 6-Chloro-5-fluoro-1H-indole-2-carboxylicacid ethyl ester;
Properties
Density:1.401
Refractive index:1.61
Specification:

The 6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester with its cas register number is 169674-00-4. It also can be called as 1H-Indole-2-carboxylicacid, 6-chloro-5-fluoro-, ethyl ester and the Systematic name about this chemical is ethyl 6-chloro-5-fluoro-1H-indole-2-carboxylate.

Physical properties about 6-Chloro-5-fluoro-1H-indole-2-carboxylic acid ethyl ester are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.86; (3)ACD/LogD (pH 7.4): 3.86; (4)ACD/BCF (pH 5.5): 503.22; (5)ACD/BCF (pH 7.4): 503.21; (6)ACD/KOC (pH 5.5): 2988.95; (7)ACD/KOC (pH 7.4): 2988.95; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 42.09Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 59.82 cm3; (14)Molar Volume: 172.4 cm3; (15)Polarizability: 23.71x10-24cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Enthalpy of Vaporization: 62.88 kJ/mol; (18)Vapour Pressure: 5.39E-06 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc2cc(F)c(Cl)cc2n1
(2)InChI: InChI=1/C11H9ClFNO2/c1-2-16-11(15)10-4-6-3-8(13)7(12)5-9(6)14-10/h3-5,14H,2H2,1H3
(3)InChIKey: KITAYCDBMMPIMA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-4-6-3-8(13)7(12)5-9(6)14-10/h3-5,14H,2H2,1H3
(5)Std. InChIKey: KITAYCDBMMPIMA-UHFFFAOYSA-N

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