InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6+,7-,10+,11-/i19+2

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Inherent Properties, Identifiers and References

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ChemSpider ID:	9734792
Empirical Formula:	C₁₂H₈Cl₆¹⁸O
Molecular Weight:	382.9091
Nominal Mass:	380 Da
Average Mass:	382.9091 Da
Monoisotopic Mass:	379.874876 Da

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Systematic Name:

SMILES:

InChI:

InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6+,7-,10+,11-/i19+2

InChIKey:

DFBKLUNHFCTMDC-LEJZBDQMFQ

Details...

Associated Data Sources and Commercial Suppliers

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Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

(Details...)

Predicted Properties

LogP:	XLogP: 3.00	# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:	1.676	Molar Refractivity:	77.48 cm³
Molar Volume:	205.9 cm³	Polarizability:	30.71 10^-24cm³
Surface Tension:	60.2 dyne/cm	Density:	1.84 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

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