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622392-04-5 molecular structure
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2-bromo-5-iodopyrazine

ChemBase ID: 64519
Molecular Formular: C4H2BrIN2
Molecular Mass: 284.88055
Monoisotopic Mass: 283.84460807
SMILES and InChIs

SMILES:
c1c(ncc(n1)I)Br
Canonical SMILES:
Brc1ncc(nc1)I
InChI:
InChI=1S/C4H2BrIN2/c5-3-1-8-4(6)2-7-3/h1-2H
InChIKey:
OHTQHZVNZWWYFD-UHFFFAOYSA-N

Cite this record

CBID:64519 http://www.chembase.cn/molecule-64519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-iodopyrazine
IUPAC Traditional name
2-bromo-5-iodopyrazine
Synonyms
2-Bromo-5-iodopyrazine
2-Bromo-5-iodopyrazine 95%
CAS Number
622392-04-5
MDL Number
MFCD08061602
PubChem SID
162030258
PubChem CID
21931200

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4737077  LogD (pH = 7.4) 1.4737077 
Log P 1.4737077  Molar Refractivity 43.2798 cm3
Polarizability 17.220192 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
95-97°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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