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329794-28-7 molecular structure
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2-chloro-3-fluoropyridine-4-carbaldehyde

ChemBase ID: 53694
Molecular Formular: C6H3ClFNO
Molecular Mass: 159.5455232
Monoisotopic Mass: 158.98871962
SMILES and InChIs

SMILES:
c1cnc(c(c1C=O)F)Cl
Canonical SMILES:
O=Cc1ccnc(c1F)Cl
InChI:
InChI=1S/C6H3ClFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-3H
InChIKey:
RWSUDYQQHLWWDK-UHFFFAOYSA-N

Cite this record

CBID:53694 http://www.chembase.cn/molecule-53694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-fluoropyridine-4-carbaldehyde
IUPAC Traditional name
2-chloro-3-fluoropyridine-4-carbaldehyde
Synonyms
2-Chloro-3-fluoropyridine-4-carboxaldehyde
2-Chloro-3-fluoropyridine-4-carboxaldehyde
2-Chloro-3-fluoro-4-formylpyridine
2-Chloro-3-fluoroisonicotinaldehyde
CAS Number
329794-28-7
MDL Number
MFCD04972388
PubChem SID
162058457
PubChem CID
2763160

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4349995  LogD (pH = 7.4) 1.4349995 
Log P 1.4349995  Molar Refractivity 36.5676 cm3
Polarizability 13.126991 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
82°C/9mm expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Moisture Sensitive/Air Sensitive/Store under Argon/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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