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55928-86-4 molecular structure
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3,4,6-tribromopyridazine

ChemBase ID: 289691
Molecular Formular: C4HBr3N2
Molecular Mass: 316.77614
Monoisotopic Mass: 313.76898404
SMILES and InChIs

SMILES:
Brc1nnc(Br)c(Br)c1
Canonical SMILES:
Brc1nnc(c(c1)Br)Br
InChI:
InChI=1S/C4HBr3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKey:
ZRPHMOREEBHHIM-UHFFFAOYSA-N

Cite this record

CBID:289691 http://www.chembase.cn/molecule-289691.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4,6-tribromopyridazine
IUPAC Traditional name
3,4,6-tribromopyridazine
Synonyms
3,4,6-Tribromopyridazine
CAS Number
55928-86-4
PubChem SID
180675222
PubChem CID
57345829

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225107 Please log in.
Data Source Data ID
PubChem 57345829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4931054  LogD (pH = 7.4) 2.4931054 
Log P 2.4931054  Molar Refractivity 48.3172 cm3
Polarizability 18.069422 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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