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1206249-40-2 molecular structure
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2-bromo-3,5-dichloropyrazine

ChemBase ID: 288959
Molecular Formular: C4HBrCl2N2
Molecular Mass: 227.87414
Monoisotopic Mass: 225.8700154
SMILES and InChIs

SMILES:
Clc1cnc(Br)c(Cl)n1
Canonical SMILES:
Clc1cnc(c(n1)Cl)Br
InChI:
InChI=1S/C4HBrCl2N2/c5-3-4(7)9-2(6)1-8-3/h1H
InChIKey:
CCUUKMSFOYYAKB-UHFFFAOYSA-N

Cite this record

CBID:288959 http://www.chembase.cn/molecule-288959.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-3,5-dichloropyrazine
IUPAC Traditional name
2-bromo-3,5-dichloropyrazine
Synonyms
2-Bromo-3.5-dichloropyrazine
CAS Number
1206249-40-2
MDL Number
MFCD14581976
PubChem SID
180674490
PubChem CID
53407587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215439 Please log in.
Data Source Data ID
PubChem 53407587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 2.1606193  Molar Refractivity 41.9414 cm3
Polarizability 15.729482 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 2.1606193  LogD (pH = 7.4) 2.1606193 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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