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124405-67-0 molecular structure
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2-bromo-5-chloropyrimidine

ChemBase ID: 287589
Molecular Formular: C4H2BrClN2
Molecular Mass: 193.42908
Monoisotopic Mass: 191.90898775
SMILES and InChIs

SMILES:
Clc1cnc(Br)nc1
Canonical SMILES:
Clc1cnc(nc1)Br
InChI:
InChI=1S/C4H2BrClN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKey:
QZOXTQMVQQUSCA-UHFFFAOYSA-N

Cite this record

CBID:287589 http://www.chembase.cn/molecule-287589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-chloropyrimidine
IUPAC Traditional name
2-bromo-5-chloropyrimidine
Synonyms
2-Bromo-5-chloropyrimidine
CAS Number
124405-67-0
MDL Number
MFCD12026299
PubChem SID
180673120
PubChem CID
22236273

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD158322 Please log in.
Data Source Data ID
PubChem 22236273 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7123833  LogD (pH = 7.4) 1.7123833 
Log P 1.7123833  Molar Refractivity 35.6246 cm3
Polarizability 13.643248 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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