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20074-67-3 molecular structure
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tetrachloropyridazine

ChemBase ID: 91308
Molecular Formular: C4Cl4N2
Molecular Mass: 217.8682
Monoisotopic Mass: 215.88155873
SMILES and InChIs

SMILES:
n1nc(c(c(c1Cl)Cl)Cl)Cl
Canonical SMILES:
Clc1c(Cl)nnc(c1Cl)Cl
InChI:
InChI=1S/C4Cl4N2/c5-1-2(6)4(8)10-9-3(1)7
InChIKey:
XTKMAPVHLBPKPE-UHFFFAOYSA-N

Cite this record

CBID:91308 http://www.chembase.cn/molecule-91308.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrachloropyridazine
IUPAC Traditional name
tetrachloropyridazine
Synonyms
Tetrachloropyridazine
CAS Number
20074-67-3
MDL Number
MFCD00233940
PubChem SID
162078012
PubChem CID
251028

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 251028 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6323364  LogD (pH = 7.4) 2.6323364 
Log P 2.6323364  Molar Refractivity 45.1062 cm3
Polarizability 16.659048 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
87-89°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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