vapor pressure
1 mmHg ( 49.8 °C)
grade
purum
assay
≥98.0% (GC)
bp
220 °C (lit.)
mp
40-45 °C, 42-45 °C
density
1.306 g/mL at 25 °C (lit.)
SMILES string
Oc1ccc(Cl)cc1
InChI
1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChI key
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
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Patrick W Causey et al.
Journal of medicinal chemistry, 51(9), 2833-2844 (2008-04-17)
A series of mono and diaryl rhenium(I)-carborane derivatives were prepared using microwave heating and screened for their affinity for two isoforms of the estrogen receptor (ER). The rhenacarborane derivative [(RR'C 2B9H9)Re(CO)3](-) (R = p-PhOH, R' = H), which was generated
Giorgio Ottaviani et al.
Journal of medicinal chemistry, 49(13), 3948-3954 (2006-06-23)
This work was devoted to the search for new artificial membranes allowing a rapid evaluation of passive human skin permeation of compounds with a parallel artificial membrane permeability assay (PAMPA). Effective permeability coefficients (Pe) determined for a set of compounds
Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following
Giorgio Ottaviani et al.
Journal of medicinal chemistry, 50(4), 742-748 (2007-02-16)
The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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