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71987-67-2

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Basic Information
CAS No.: 71987-67-2
Name: (5-FLUORO-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID
Article Data: 11
Molecular Structure:
Molecular Structure of 71987-67-2 ((5-FLUORO-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID)
Formula: C11H10FNO2
Molecular Weight: 207.20
Synonyms: (5-Fluoro-2-methyl-1H-indol-3-yl)-acetic acid;
Density: 1.383 g/cm3
Melting Point: 179-182 °C(Solv: acetonitrile (75-05-8))
Boiling Point: 421.1 °C at 760 mmHg
Flash Point: 208.5 °C
Hazard Symbols: IrritantXi
PSA: 53.09000
LogP: 2.24250
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Specification

The 1H-Indole-3-aceticacid, 5-fluoro-2-methyl-, with the CAS registry number 71987-67-2, is also known as (5-Fluoro-2-methyl-1H-indol-3-yl)-acetic acid. This chemical's molecular formula is C11H10FNO2 and molecular weight is 207.20. What's more, its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)acetic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Indole-3-aceticacid, 5-fluoro-2-methyl- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 54.46 cm3; (15)Molar Volume: 149.7 cm3; (16)Polarizability: 21.59×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 208.5 °C; (20)Enthalpy of Vaporization: 71.17 kJ/mol; (21)Boiling Point: 421.1 °C at 760 mmHg; (22)Vapour Pressure: 7.62E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1)nc(c2CC(=O)O)C
(2)Std. InChI: InChI=1S/C11H10FNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
(3)Std. InChIKey: VJZAMNBVIWOUJR-UHFFFAOYSA-N