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CAS 886362-69-2 chemical formula,CAS 886362-69-2 MSDS,CAS 886362-69-2 chemical properties

CAS Number 886362-69-2
chem name 1H-Indole-3-carboxylicacid, 6-fluoro-2-methyl-, ethyl ester
formula C12H12FNO2
structure
synonyms Ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate;6-Fluoro-2-methyl-1H-indole-3-carboxylic acid ethyl ester;
properties

CAS Number 886362-69-2 properties (MSDS)

Specification

This chemical is called 1H-Indole-3-carboxylic acid, 6-fluoro-2-methyl-, ethyl ester, and its systematic name is Ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate. With the molecular formula of C12H12FNO2, its molecular weight is 221.23. The CAS registry number of this chemical is 886362-69-2.

Other characteristics of the 1H-Indole-3-carboxylic acid, 6-fluoro-2-methyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 42.09 Å2; (9)Index of Refraction: 1.591; (10)Molar Refractivity: 59.75 cm3; (11)Molar Volume: 176.7 cm3; (12)Polarizability: 23.68×10-24cm3; (13)Surface Tension: 45.9 dyne/cm; (14)Density: 1.251 g/cm3; (15)Flash Point: 164 °C; (16)Enthalpy of Vaporization: 59.19 kJ/mol; (17)Boiling Point: 347.6 °C at 760 mmHg; (18)Vapour Pressure: 5.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCOC(=O)c1c2ccc(F)cc2nc1C
2.InChI: InChI=1/C12H12FNO2/c1-3-16-12(15)11-7(2)14-10-6-8(13)4-5-9(10)11/h4-6,14H,3H2,1-2H3
3.InChIKey: GOKWPANDLYARQA-UHFFFAOYAI