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912773-21-8 molecular structure
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2-bromo-5-chloropyrazine

ChemBase ID: 64518
Molecular Formular: C4H2BrClN2
Molecular Mass: 193.42908
Monoisotopic Mass: 191.90898775
SMILES and InChIs

SMILES:
c1c(ncc(n1)Cl)Br
Canonical SMILES:
Clc1ncc(nc1)Br
InChI:
InChI=1S/C4H2BrClN2/c5-3-1-8-4(6)2-7-3/h1-2H
InChIKey:
UXCPLGLOAZWCKO-UHFFFAOYSA-N

Cite this record

CBID:64518 http://www.chembase.cn/molecule-64518.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-chloropyrazine
IUPAC Traditional name
2-bromo-5-chloropyrazine
Synonyms
2-Bromo-5-chloro-1,4-diazine
2-Bromo-5-chloropyrazine
CAS Number
912773-21-8
MDL Number
MFCD08460074
PubChem SID
162030257
PubChem CID
37818725

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3363974  LogD (pH = 7.4) 1.3363974 
Log P 1.3363974  Molar Refractivity 36.0753 cm3
Polarizability 13.6331835 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Light Sensitive/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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