Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole-3-carboxylicacid, 5-fluoro-, methyl ester |
EINECS | N/A |
CAS No. | 310886-79-4 | Density | 1.341 g/cm3 |
PSA | 42.09000 | LogP | 2.09360 |
Solubility | N/A | Melting Point |
200-202℃ |
Formula | C10H8FNO2 | Boiling Point | 335.3 °C at 760 mmHg |
Molecular Weight | 193.177 | Flash Point | 156.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Fluoro-1H-indole-3-carboxylicacid methyl ester;5-Fluoro-3-methoxycarbonyl-1H-indole; |
Article Data | 12 |
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