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27023-19-4 molecular structure
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2,5-dichloro-3,6-dimethylpyrazine

ChemBase ID: 806438
Molecular Formular: C6H6Cl2N2
Molecular Mass: 177.03124
Monoisotopic Mass: 175.99080356
SMILES and InChIs

SMILES:
c1(c(nc(c(n1)Cl)C)Cl)C
Canonical SMILES:
Cc1nc(Cl)c(nc1Cl)C
InChI:
InChI=1S/C6H6Cl2N2/c1-3-5(7)10-4(2)6(8)9-3/h1-2H3
InChIKey:
NKIZSFXAIKPBCL-UHFFFAOYSA-N

Cite this record

CBID:806438 http://www.chembase.cn/molecule-806438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloro-3,6-dimethylpyrazine
IUPAC Traditional name
2,5-dichloro-3,6-dimethylpyrazine
Synonyms
2,5-DICHLORO-3,6-DIMETHYLPYRAZINE
CAS Number
27023-19-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24084 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24084 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) 1.449085  LogD (pH = 7.4) 1.449085 
Log P 1.449085  Molar Refractivity 42.6594 cm3
Polarizability 16.03921 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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