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330786-09-9 molecular structure
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methyl 3,5-dichloropyrazine-2-carboxylate

ChemBase ID: 804449
Molecular Formular: C6H4Cl2N2O2
Molecular Mass: 207.01416
Monoisotopic Mass: 205.96498274
SMILES and InChIs

SMILES:
c1(c(ncc(n1)Cl)C(=O)OC)Cl
Canonical SMILES:
COC(=O)c1ncc(nc1Cl)Cl
InChI:
InChI=1S/C6H4Cl2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
InChIKey:
VEDWLDKMRDJFNF-UHFFFAOYSA-N

Cite this record

CBID:804449 http://www.chembase.cn/molecule-804449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3,5-dichloropyrazine-2-carboxylate
IUPAC Traditional name
methyl 3,5-dichloropyrazine-2-carboxylate
Synonyms
METHYL 3,5-DICHLOROPYRAZINE-2-CARBOXYLATE
CAS Number
330786-09-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21421 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21421 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) 1.375672  LogD (pH = 7.4) 1.375672 
Log P 1.375672  Molar Refractivity 45.1297 cm3
Polarizability 17.129086 Å3 Polar Surface Area 52.08 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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