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1060802-23-4 molecular structure
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5-bromo-2-chloropyridine-4-carbaldehyde

ChemBase ID: 59440
Molecular Formular: C6H3BrClNO
Molecular Mass: 220.45112
Monoisotopic Mass: 218.9086534
SMILES and InChIs

SMILES:
c1(cc(c(cn1)Br)C=O)Cl
Canonical SMILES:
O=Cc1cc(Cl)ncc1Br
InChI:
InChI=1S/C6H3BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-3H
InChIKey:
MAGFXBKNQAAQQA-UHFFFAOYSA-N

Cite this record

CBID:59440 http://www.chembase.cn/molecule-59440.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-chloropyridine-4-carbaldehyde
IUPAC Traditional name
5-bromo-2-chloropyridine-4-carbaldehyde
Synonyms
5-Bromo-2-chloropyridine-4-carbaldehyde
5-bromo-2-chloroisonicotinaldehyde
CAS Number
1060802-23-4
MDL Number
MFCD11847346
PubChem SID
162064203
PubChem CID
53418381

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53418381 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0610502  LogD (pH = 7.4) 2.0610502 
Log P 2.0610502  Molar Refractivity 43.974 cm3
Polarizability 16.316263 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
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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