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Basic Information
CAS No.: 468718-16-3
Name: 5-(Trifluoromethyl)-1H-indole-3-carboxaldehyde
Article Data: 2
Molecular Structure:
Molecular Structure of 468718-16-3 (5-(Trifluoromethyl)-1H-indole-3-carboxaldehyde)
Formula: C10H6F3NO
Molecular Weight: 213.16
Synonyms: 5-(Trifuoromethyl)-1H-indol-3-carbaldehyde;5-(Trifluoromethyl)-1H-indole-3-carbaldehyde;5-(Trifluoromethyl)-1H-indole-3-carboxaldehyde;1H-Indole-3-carboxaldehyde, 5-(trifluoromethyl)-
Density: 1.45 g/cm3
Boiling Point: 333.508 °C at 760 mmHg
Flash Point: 155.5 °C
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Specification

The cas register number of 5-(Trifluoromethyl)-1H-indole-3-carboxaldehyde is 468718-16-3. The Systematic name about this chemical is 1H-indole-3-carboxaldehyde, 5-(trifluoromethyl)-.

Physical properties about 5-(Trifluoromethyl)-1H-indole-3-carboxaldehyde are: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2.39; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 38.586; (5)ACD/BCF (pH 7.4): 38.586; (6)ACD/KOC (pH 5.5): 475.534; (7)ACD/KOC (pH 7.4): 475.534; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.86Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 50.261 cm3; (14)Molar Volume: 147.048 cm3; (15)Polarizability: 19.925x10-24cm3; (16)Surface Tension: 41.389 dyne/cm; (17)Enthalpy of Vaporization: 57.638 kJ/mol; (18)Boiling Point: 333.508 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C(F)(F)F)c(c[nH]2)C=O
(2)InChI: InChI=1/C10H6F3NO/c11-10(12,13)7-1-2-9-8(3-7)6(5-15)4-14-9/h1-5,14H
(3)InChIKey: ABXIESRZLRQYLM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H6F3NO/c11-10(12,13)7-1-2-9-8(3-7)6(5-15)4-14-9/h1-5,14H
(5)Std. InChIKey: ABXIESRZLRQYLM-UHFFFAOYSA-N