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| CAS No.: | 127168-78-9 |
|---|---|
| Name: | 1H-Isoindole, 4-fluoro-2,3-dihydro- |
| Molecular Structure: | |
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| Formula: | C8H8FN |
| Molecular Weight: | 137.15 |
| Synonyms: | 4-Fluoro-2,3-dihydro-1H-isoindole; |
| Density: | 1.155 g/cm3 |
| Boiling Point: | 202.237 °C at 760 mmHg |
| Flash Point: | 76.111 °C |
| PSA: | 12.03000 |
| LogP: | 1.75770 |
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- Total:24 Page 1 of 1 1
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Specification
The 4-Fluoroisoindoline, with the cas registry number 127168-78-9, has the systematic name and IUPAC name of 4-fluoro-2,3-dihydro-1H-isoindole. And the molecular formula of the chemical is C8H8FN.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 12.22; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 12.03 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 37.15 cm3; (14)Molar Volume: 118.7 cm3; (15)Polarizability: 14.73×10-24cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.154 g/cm3; (18)Flash Point: 76.1 °C; (19)Enthalpy of Vaporization: 43.85 kJ/mol; (20)Boiling Point: 202.2 °C at 760 mmHg; (21)Vapour Pressure: 0.295 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc2cccc1CNCc12
(2)InChI: InChI=1/C8H8FN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
(3)InChIKey: UDBMWFNXDSVYBR-UHFFFAOYAU