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1196151-43-5 molecular structure
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2-chloro-6-(chloromethyl)pyrazine

ChemBase ID: 814339
Molecular Formular: C5H4Cl2N2
Molecular Mass: 163.00466
Monoisotopic Mass: 161.9751535
SMILES and InChIs

SMILES:
c1c(nc(cn1)CCl)Cl
Canonical SMILES:
ClCc1cncc(n1)Cl
InChI:
InChI=1S/C5H4Cl2N2/c6-1-4-2-8-3-5(7)9-4/h2-3H,1H2
InChIKey:
ABKVMFTWFVYZQL-UHFFFAOYSA-N

Cite this record

CBID:814339 http://www.chembase.cn/molecule-814339.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(chloromethyl)pyrazine
IUPAC Traditional name
2-chloro-6-(chloromethyl)pyrazine
Synonyms
2-chloro-6-(chloromethyl)pyrazine
CAS Number
1196151-43-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36499 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36499 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0308365  LogD (pH = 7.4) 1.0308368 
Log P 1.0308368  Molar Refractivity 36.955 cm3
Polarizability 14.249401 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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