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851484-95-2 molecular structure
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2-chloro-5-fluoropyridine-3-carbaldehyde

ChemBase ID: 23772
Molecular Formular: C6H3ClFNO
Molecular Mass: 159.5455232
Monoisotopic Mass: 158.98871962
SMILES and InChIs

SMILES:
c1(cnc(c(c1)C=O)Cl)F
Canonical SMILES:
O=Cc1cc(F)cnc1Cl
InChI:
InChI=1S/C6H3ClFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-3H
InChIKey:
IMQFWCDQEAIYJV-UHFFFAOYSA-N

Cite this record

CBID:23772 http://www.chembase.cn/molecule-23772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-5-fluoropyridine-3-carbaldehyde
IUPAC Traditional name
2-chloro-5-fluoropyridine-3-carbaldehyde
Synonyms
2-Chloro-5-fluoro-pyridine-3-carbaldehyde
2-Chloro-5-fluoro-pyridine-3-carbaldehyde
2-CHLORO-5-FLUOROPYRIDINE-3-CARBALDEHYDE
CAS Number
851484-95-2
MDL Number
MFCD03095247
PubChem SID
160987079
PubChem CID
24229202

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 13.110619 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
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H3ClFNO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000400 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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