1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro- supplier

Name
5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 186446-26-4
Article Data7
CAS DataBase
Density 1.635 g/cm³
Solubility
Melting Point 270-280 °C
Formula C₉H₅ClFNO₂
Boiling Point 455.4 °C at 760 mmHg
Molecular Weight 213.596
Flash Point 229.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID;4-fluoro-5-chloroindole-2-carboxylic acid
PSA 53.09000
LogP 2.65860

1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro- Specification

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

Product Name

5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID

1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro- Specification

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