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243472-69-7 molecular structure
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2-bromo-5-phenylpyrazine

ChemBase ID: 815467
Molecular Formular: C10H7BrN2
Molecular Mass: 235.07998
Monoisotopic Mass: 233.97926023
SMILES and InChIs

SMILES:
c1c(ncc(n1)c1ccccc1)Br
Canonical SMILES:
Brc1cnc(cn1)c1ccccc1
InChI:
InChI=1S/C10H7BrN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey:
SLFNGAVOQANKIE-UHFFFAOYSA-N

Cite this record

CBID:815467 http://www.chembase.cn/molecule-815467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-phenylpyrazine
IUPAC Traditional name
2-bromo-5-phenylpyrazine
Synonyms
2-bromo-5-phenylpyrazine
CAS Number
243472-69-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37788 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37788 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) 2.5452511  LogD (pH = 7.4) 2.5452514 
Log P 2.5452514  Molar Refractivity 54.9734 cm3
Polarizability 22.22578 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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