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81831-69-8 molecular structure
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2-(chloromethyl)-6-methylpyrazine

ChemBase ID: 802293
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
c1c(nc(cn1)C)CCl
Canonical SMILES:
Cc1cncc(n1)CCl
InChI:
InChI=1S/C6H7ClN2/c1-5-3-8-4-6(2-7)9-5/h3-4H,2H2,1H3
InChIKey:
OKRBGEYTNRBJDM-UHFFFAOYSA-N

Cite this record

CBID:802293 http://www.chembase.cn/molecule-802293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-6-methylpyrazine
IUPAC Traditional name
2-(chloromethyl)-6-methylpyrazine
Synonyms
2-(CHLOROMETHYL)-6-METHYLPYRAZINE
CAS Number
81831-69-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18738 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18738 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) 0.3379794  LogD (pH = 7.4) 0.33798504 
Log P 0.3379851  Molar Refractivity 35.6804 cm3
Polarizability 13.98184 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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