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1196156-90-7 molecular structure
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2-(chloromethyl)-5-methoxypyrazine

ChemBase ID: 814307
Molecular Formular: C6H7ClN2O
Molecular Mass: 158.58558
Monoisotopic Mass: 158.02469053
SMILES and InChIs

SMILES:
c1c(ncc(n1)OC)CCl
Canonical SMILES:
ClCc1ncc(nc1)OC
InChI:
InChI=1S/C6H7ClN2O/c1-10-6-4-8-5(2-7)3-9-6/h3-4H,2H2,1H3
InChIKey:
RDZSXLXGRSWNAQ-UHFFFAOYSA-N

Cite this record

CBID:814307 http://www.chembase.cn/molecule-814307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-5-methoxypyrazine
IUPAC Traditional name
2-(chloromethyl)-5-methoxypyrazine
Synonyms
2-(chloromethyl)-5-methoxypyrazine
CAS Number
1196156-90-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36467 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36467 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) 0.6434009  LogD (pH = 7.4) 0.6434012 
Log P 0.6434012  Molar Refractivity 37.8656 cm3
Polarizability 14.784652 Å3 Polar Surface Area 35.01 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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