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1125410-08-3 molecular structure
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6-bromo-2-chloropyridine-3-carbaldehyde

ChemBase ID: 32962
Molecular Formular: C6H3BrClNO
Molecular Mass: 220.45112
Monoisotopic Mass: 218.9086534
SMILES and InChIs

SMILES:
c1c(nc(c(c1)C=O)Cl)Br
Canonical SMILES:
Clc1nc(Br)ccc1C=O
InChI:
InChI=1S/C6H3BrClNO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
InChIKey:
SVKNHWDBCZRAOC-UHFFFAOYSA-N

Cite this record

CBID:32962 http://www.chembase.cn/molecule-32962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-chloropyridine-3-carbaldehyde
IUPAC Traditional name
6-bromo-2-chloropyridine-3-carbaldehyde
Synonyms
6-Bromo-2-chloronicotinaldehyde
6-Bromo-2-chloronicotinaldehyde
CAS Number
1125410-08-3
MDL Number
MFCD11857709
PubChem SID
160996269
PubChem CID
45588196

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2665722  LogD (pH = 7.4) 2.2665722 
Log P 2.2665722  Molar Refractivity 44.8162 cm3
Polarizability 16.37284 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
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C6H3BrClNO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000570 external link
Other Notes
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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