5-Fluoro-3-methylindole-2-carboxylic acid supplier

Name
5-FLUORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 16381-46-7
Article Data4
CAS DataBase
Density 1.432 g/cm³
Solubility
Melting Point
Formula C₁₀H₈FNO₂
Boiling Point 412.8 °C at 760 mmHg
Molecular Weight 193.17
Flash Point 203.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms TIMTEC-BB SBB010883;1H-indole-2-carboxylic acid,5-fluoro-3-methyl-;
PSA 53.09000
LogP 2.31360

5-Fluoro-3-methylindole-2-carboxylic acid Specification

The CAS registry number of 5-Fluoro-3-methylindole-2-carboxylic is 16381-46-7. The IUPAC name is 5-fluoro-3-methyl-1H-indole-2-carboxylic acid. In addition, the formula is C₁₀H₈FNO₂ and the molecular weight is 193.1744. It has irritant.

Physical properties about this chemical are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 50.27 cm³; (15)Molar Volume: 134.8 cm³; (16)Polarizability: 19.93 ×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.432 g/cm³; (19)Flash Point: 203.5 °C; (20)Enthalpy of Vaporization: 70.17 kJ/mol; (21)Boiling Point: 412.8 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1)nc(c2C)C(=O)O
(2)InChI: InChI=1/C10H8FNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
(3)InChIKey: XNWVWEWWPNKNJX-UHFFFAOYAB

Product Name

5-FLUORO-3-METHYL-1H-INDOLE-2-CARBOXYLIC ACID

5-Fluoro-3-methylindole-2-carboxylic acid Specification

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