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1060805-64-2 molecular structure
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4-bromo-6-chloropyridine-3-carbaldehyde

ChemBase ID: 798917
Molecular Formular: C6H3BrClNO
Molecular Mass: 220.45112
Monoisotopic Mass: 218.9086534
SMILES and InChIs

SMILES:
c1(c(cnc(c1)Cl)C=O)Br
Canonical SMILES:
Clc1cc(Br)c(cn1)C=O
InChI:
InChI=1S/C6H3BrClNO/c7-5-1-6(8)9-2-4(5)3-10/h1-3H
InChIKey:
VIRJSSSWMBEHAG-UHFFFAOYSA-N

Cite this record

CBID:798917 http://www.chembase.cn/molecule-798917.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-chloropyridine-3-carbaldehyde
IUPAC Traditional name
4-bromo-6-chloropyridine-3-carbaldehyde
Synonyms
4-bromo-6-chloronicotinaldehyde
CAS Number
1060805-64-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

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 16.31471 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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