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1086382-74-2 molecular structure
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2-bromo-5-ethylpyrazine

ChemBase ID: 815650
Molecular Formular: C6H7BrN2
Molecular Mass: 187.03718
Monoisotopic Mass: 185.97926023
SMILES and InChIs

SMILES:
c1c(ncc(n1)CC)Br
Canonical SMILES:
CCc1cnc(cn1)Br
InChI:
InChI=1S/C6H7BrN2/c1-2-5-3-9-6(7)4-8-5/h3-4H,2H2,1H3
InChIKey:
CCDAQGHBTWYAMF-UHFFFAOYSA-N

Cite this record

CBID:815650 http://www.chembase.cn/molecule-815650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-ethylpyrazine
IUPAC Traditional name
2-bromo-5-ethylpyrazine
Synonyms
2-bromo-5-ethylpyrazine
CAS Number
1086382-74-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38010 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38010 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) 1.3440793  LogD (pH = 7.4) 1.3440816 
Log P 1.3440816  Molar Refractivity 39.4276 cm3
Polarizability 15.076051 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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