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CAS No.: | 186446-26-4 |
---|---|
Name: | 5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H5ClFNO2 |
Molecular Weight: | 213.596 |
Synonyms: | 5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID;4-fluoro-5-chloroindole-2-carboxylic acid |
Density: | 1.635 g/cm3 |
Melting Point: | 270-280 °C |
Boiling Point: | 455.4 °C at 760 mmHg |
Flash Point: | 229.2 °C |
PSA: | 53.09000 |
LogP: | 2.65860 |
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The CAS registry number of 1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro- is 186446-26-4. This chemical's molecular formula is C9H5ClFNO2 and molecular weight is 213.5929. Its systematic name is called 5-chloro-4-fluoro-1H-indole-2-carboxylic acid.
Physical properties of 1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro-: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 5.49; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 44.02; (7)ACD/KOC (pH 7.4): 1.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 50.34 cm3; (13)Molar Volume: 130.5 cm3; (14)Surface Tension: 68.6 dyne/cm; (15)Density: 1.635 g/cm3; (16)Flash Point: 229.2 °C; (17)Enthalpy of Vaporization: 75.36 kJ/mol; (18)Boiling Point: 455.4 °C at 760 mmHg; (19)Vapour Pressure: 4.38E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2c(F)c(Cl)ccc2n1
(2)InChI: InChI=1/C9H5ClFNO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14)
(3)InChIKey: GOPLNYXPDXOWSO-UHFFFAOYAQ