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60023-35-0 molecular structure
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2-(bromomethyl)pyrazine

ChemBase ID: 88157
Molecular Formular: C5H5BrN2
Molecular Mass: 173.0106
Monoisotopic Mass: 171.96361017
SMILES and InChIs

SMILES:
n1c(cncc1)CBr
Canonical SMILES:
BrCc1cnccn1
InChI:
InChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKey:
VNMORBLLLTZLLT-UHFFFAOYSA-N

Cite this record

CBID:88157 http://www.chembase.cn/molecule-88157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)pyrazine
IUPAC Traditional name
2-(bromomethyl)pyrazine
Synonyms
2-(Bromomethyl)pyrazine
CAS Number
60023-35-0
PubChem SID
162075186
PubChem CID
12752238

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 12752238 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.39210695  LogD (pH = 7.4) 0.39211017 
Log P 0.3921102  Molar Refractivity 34.0724 cm3
Polarizability 13.203431 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Light Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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