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65352-95-6 molecular structure
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2-fluoropyridine-4-carbonyl chloride

ChemBase ID: 54155
Molecular Formular: C6H3ClFNO
Molecular Mass: 159.5455232
Monoisotopic Mass: 158.98871962
SMILES and InChIs

SMILES:
c1cnc(cc1C(=O)Cl)F
Canonical SMILES:
Fc1nccc(c1)C(=O)Cl
InChI:
InChI=1S/C6H3ClFNO/c7-6(10)4-1-2-9-5(8)3-4/h1-3H
InChIKey:
BWRHCKQYCOWAAV-UHFFFAOYSA-N

Cite this record

CBID:54155 http://www.chembase.cn/molecule-54155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoropyridine-4-carbonyl chloride
IUPAC Traditional name
2-fluoropyridine-4-carbonyl chloride
Synonyms
2-Fluoro-isonicotinoyl chloride
CAS Number
65352-95-6
MDL Number
MFCD11227178
PubChem SID
162058918
PubChem CID
14303434

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 14303434 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4831185  LogD (pH = 7.4) 1.4831185 
Log P 1.4831185  Molar Refractivity 36.2469 cm3
Polarizability 13.028872 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
95%+ expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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