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| CAS No.: | 685565-15-5 |
|---|---|
| Name: | 5-Fluoro isoindoline hydrochloride |
| Molecular Structure: | |
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| Formula: | C8H9ClFN |
| Molecular Weight: | 173.6152 |
| Synonyms: | 5-Fluoroisoindoline hydrochloride (1:1);1H-Isoindole, 5-fluoro-2,3-dihydro-, hydrochloride (1:1); |
| Boiling Point: | 235.3 °C at 760 mmHg |
| Flash Point: | 96.1 °C |
| PSA: | 12.03000 |
| LogP: | 2.55970 |
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- Total:33 Page 1 of 1 1
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Specification
The CAS register number of 5-Fluoro isoindoline hydrochloride is 685565-15-5. It also can be called as 1H-Isoindole, 5-fluoro-2,3-dihydro-, hydrochloride (1:1) and the systematic name about this chemical is 5-fluoro-2,3-dihydro-1H-isoindole hydrochloride. The molecular formula about this chemical is C8H9ClFN and the molecular weight is 173.6152.
Physical properties about 5-Fluoro isoindoline hydrochloride are: (1)ACD/LogP: 1.06; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.04; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)Polar Surface Area: 12.03 Å2; (9)Flash Point: 96.1 °C; (10)Enthalpy of Vaporization: 48.16 kJ/mol; (11)Boiling Point: 235.3 °C at 760 mmHg; (12)Vapour Pressure: 0.0408 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.Fc1ccc2CNCc2c1
(2)InChI:InChI=1/C8H8FN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H
(3)InChIKey:NVFMCKBKBMZDOK-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C8H8FN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H
(5)Std. InChIKey:NVFMCKBKBMZDOK-UHFFFAOYSA-N