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1053656-54-4

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Basic Information
CAS No.: 1053656-54-4
Name: ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate
Molecular Structure:
Molecular Structure of 1053656-54-4 (ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate)
Formula: C11H9F3N2O2
Molecular Weight: 258.19
Synonyms: ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate;6-(trifluoromethyl)-1H-indazole-3-carboxylic acid ethyl ester;1H-Indazole-3-carboxylicacid, 6-(trifluoroMethyl)-, ethyl ester
Density: 1.41 g/cm3
Boiling Point: 356.3 °C at 760 mmHg
Flash Point: 169.3 °C
PSA: 54.98000
LogP: 2.75840
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Specification

The 1H-Indazole-3-carboxylicacid, 6-(trifluoromethyl)-, ethyl ester has CAS registry number 1053656-54-4. Its molecular formula is C11H9F3N2O2 and molecular weight is 258.19. What's more, its systematic name is Ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate.

Physical properties about the 1H-Indazole-3-carboxylicacid, 6-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 54.98 Å2; (9)Index of Refraction: 1.546; (10)Molar Refractivity: 58 cm3; (11)Molar Volume: 183 cm3; (12)Surface Tension: 42.2 dyne/cm; (13)Density: 1.41 g/cm3; (14)Flash Point: 169.3 °C; (15)Enthalpy of Vaporization: 60.16 kJ/mol; (16)Boiling Point: 356.3 °C at 760 mmHg; (17)Vapour Pressure: 2.95E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc2c(c1)nnc2C(=O)OCC
(2) InChI: InChI=1/C11H9F3N2O2/c1-2-18-10(17)9-7-4-3-6(11(12,13)14)5-8(7)15-16-9/h3-5H,2H2,1H3,(H,15,16)
(3) InChIKey: ZWOVPMUDIDRACQ-UHFFFAOYAL