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2958-88-5 molecular structure
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hexachloroquinoxaline

ChemBase ID: 90840
Molecular Formular: C8Cl6N2
Molecular Mass: 336.817
Monoisotopic Mass: 333.81926409
SMILES and InChIs

SMILES:
n1c(c(nc2c(c(c(c(c12)Cl)Cl)Cl)Cl)Cl)Cl
Canonical SMILES:
Clc1nc2c(nc1Cl)c(Cl)c(c(c2Cl)Cl)Cl
InChI:
InChI=1S/C8Cl6N2/c9-1-2(10)4(12)6-5(3(1)11)15-7(13)8(14)16-6
InChIKey:
ATEQFBLOHPRUHO-UHFFFAOYSA-N

Cite this record

CBID:90840 http://www.chembase.cn/molecule-90840.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexachloroquinoxaline
IUPAC Traditional name
hexachloroquinoxaline
Synonyms
Hexachloro-1,4-benzodiazine
Hexachloroquinoxaline
CAS Number
2958-88-5
PubChem SID
162077549
PubChem CID
13238628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 13238628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.363701  LogD (pH = 7.4) 5.363701 
Log P 5.363701  Molar Refractivity 68.4018 cm3
Polarizability 27.877438 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
200-202°C expand Show data source
Storage Warning
Toxic/Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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