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195073-19-9 molecular structure
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2-chloro-6-nitropyrazine

ChemBase ID: 802296
Molecular Formular: C4H2ClN3O2
Molecular Mass: 159.53058
Monoisotopic Mass: 158.983554
SMILES and InChIs

SMILES:
c1c(nc(cn1)[N+](=O)[O-])Cl
Canonical SMILES:
[O-][N+](=O)c1cncc(n1)Cl
InChI:
InChI=1S/C4H2ClN3O2/c5-3-1-6-2-4(7-3)8(9)10/h1-2H
InChIKey:
WJUQEURLLVJUFK-UHFFFAOYSA-N

Cite this record

CBID:802296 http://www.chembase.cn/molecule-802296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-nitropyrazine
IUPAC Traditional name
2-chloro-6-nitropyrazine
Synonyms
2-CHLORO-6-NITROPYRAZINE
CAS Number
195073-19-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18744 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18744 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) 0.89656454  LogD (pH = 7.4) 0.89656454 
Log P 0.89656454  Molar Refractivity 34.2443 cm3
Polarizability 12.618499 Å3 Polar Surface Area 68.92 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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