Basic Information | Post buying leads | Suppliers |
Name |
1H-Indazole-3-carboxylicacid, 6-(trifluoromethyl)-, ethyl ester |
EINECS | N/A |
CAS No. | 1053656-54-4 | Density | 1.41 g/cm3 |
PSA | 54.98000 | LogP | 2.75840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H9F3N2O2 | Boiling Point | 356.3 °C at 760 mmHg |
Molecular Weight | 258.19 | Flash Point | 169.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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 |
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