6-Fluoro-1H-indole-3-carboxylic acid methyl ester supplier

Name
6-Fluoro-1H-indole-3-carboxylic acid methyl ester
EINECS
CAS No. 649550-97-0
Article Data3
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point 194-196 °C
Formula C₁₀H₈FNO₂
Boiling Point 335.3 °C at 760 mmHg
Molecular Weight 193.17
Flash Point 156.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Rarechem AL BF 0955;
PSA 42.09000
LogP 2.09360

6-Fluoro-1H-indole-3-carboxylic acid methyl ester Specification

The systematic name of 6-Fluoro-1H-indole-3-carboxylic acid methyl ester is methyl 6-fluoro-1H-indole-3-carboxylate. With the CAS registry number 649550-97-0, it is also named as Rarechem AL BF 0955. The product's category is Pharmacetical. In addition, its molecular formula is C₁₀H₈FNO₂ and molecular weight is 193.17.

The other characteristics of 6-Fluoro-1H-indole-3-carboxylic acid methyl ester can be summarized as: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)H bond acceptors: 3; (6)H bond donors: 1; (7)Freely Rotating Bonds: 2; (8)Polar Surface Area: 42.09 Å²; (9)Index of Refraction: 1.615; (10)Molar Refractivity: 50.29 cm³; (11)Molar Volume: 143.9 cm³; (12)Polarizability: 19.93×10^-24cm³; (13)Surface Tension: 49.9 dyne/cm; (14)Density: 1.341 g/cm³; (15)Flash Point: 156.6 °C; (16)Enthalpy of Vaporization: 57.83 kJ/mol; (17)Boiling Point: 335.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000121 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:COC(=O)c2cnc1cc(F)ccc12
(2)InChI:InChI=1/C10H8FNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
(3)InChIKey:AGSZPNLHIFZEIT-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C10H8FNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
(5)Std. InChIKey:AGSZPNLHIFZEIT-UHFFFAOYSA-N

Product Name

6-Fluoro-1H-indole-3-carboxylic acid methyl ester

6-Fluoro-1H-indole-3-carboxylic acid methyl ester Specification

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