InChI
1S/CCl3F/c2-1(3,4)5
InChI key
CYRMSUTZVYGINF-UHFFFAOYSA-N
SMILES string
FC(Cl)(Cl)Cl
vapor density
5.04 (vs air)
vapor pressure
12.85 psi ( 20 °C), 39.17 psi ( 55 °C)
assay
≥99.5%
refractive index
n20/D 1.3821 (lit.)
bp
23.7 °C (lit.)
mp
−111-−110 °C (lit.)
density
1.494 g/mL at 25 °C (lit.)
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Packaging
安瓿瓶包装
Legal Information
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A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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