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| CAS No.: | 310886-79-4 |
|---|---|
| Name: | 5-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER |
| Molecular Structure: | |
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| Formula: | C10H8FNO2 |
| Molecular Weight: | 193.177 |
| Synonyms: | 5-Fluoro-1H-indole-3-carboxylicacid methyl ester;5-Fluoro-3-methoxycarbonyl-1H-indole; |
| Density: | 1.341 g/cm3 |
| Melting Point: | 200-202℃ |
| Boiling Point: | 335.3 °C at 760 mmHg |
| Flash Point: | 156.6 °C |
| PSA: | 42.09000 |
| LogP: | 2.09360 |
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Specification
The CAS register number of 1H-Indole-3-carboxylicacid, 5-fluoro-, methyl ester is 310886-79-4. It also can be called as Methyl 5-fluoro-1H-indole-3-carboxylate and the systematic name about this chemical is methyl 5-fluoro-1H-indole-3-carboxylate. The molecular formula about this chemical is C10H8FNO2 and the molecular weight is 193.17. It belongs to the Pharmacetical.
Physical properties about 1H-Indole-3-carboxylicacid, 5-fluoro-, methyl ester are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 42.09Å2; (8)Index of Refraction: 1.615; (9)Molar Refractivity: 50.29 cm3; (10)Molar Volume: 143.9 cm3; (11)Polarizability: 19.93x10-24cm3; (12)Surface Tension: 49.9 dyne/cm; (13)Flash Point: 156.6 °C; (14)Enthalpy of Vaporization: 57.83 kJ/mol; (15)Boiling Point: 335.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000121 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2cnc1ccc(F)cc12
(2)InChI: InChI=1/C10H8FNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
(3)InChIKey: FVCOPMDCKPXHDZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8FNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
(5)Std. InChIKey: FVCOPMDCKPXHDZ-UHFFFAOYSA-N