CAS No.496946-78-2,5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	496946-78-2
Name:	5-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
Article Data:	6

Formula:	C₁₀H₆F₃NO₂
Molecular Weight:	229.1553
Synonyms:	5-(Trifluoromethyl)indole-2-carboxylicacid;5-Trifluoromethyl-1H-indole-2-carboxylic acid;
Density:	1.549 g/cm³
Boiling Point:	402.5 °C at 760 mmHg
Flash Point:	197.2 °C
PSA:	53.09000
LogP:	2.88490

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Specification

The 1H-Indole-2-carboxylicacid, 5-(trifluoromethyl)-, with the CAS registry number 496946-78-2, is also known as 5-(Trifluoromethyl)indole-2-carboxylic acid. This chemical's molecular formula is C₁₀H₆F₃NO₂ and molecular weight is 229.1553. Its systematic name is called 5-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Physical properties of 1H-Indole-2-carboxylicacid, 5-(trifluoromethyl)-: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/BCF (pH 5.5): 3.52; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 33.95; (6)ACD/KOC (pH 7.4): 1.06; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 50.43 cm³; (12)Molar Volume: 147.9 cm³; (13)Surface Tension: 48.3 dyne/cm; (14)Density: 1.549 g/cm³; (15)Flash Point: 197.2 °C; (16)Enthalpy of Vaporization: 68.93 kJ/mol; (17)Boiling Point: 402.5 °C at 760 mmHg; (18)Vapour Pressure: 3.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc2cc(nc2cc1)C(O)=O
(2)InChI: InChI=1/C10H6F3NO2/c11-10(12,13)6-1-2-7-5(3-6)4-8(14-7)9(15)16/h1-4,14H,(H,15,16)
(3)InChIKey: FYRRCNKOGMDNSI-UHFFFAOYAJ