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128583-07-3 molecular structure
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6-fluoropyridine-2-sulfonyl chloride

ChemBase ID: 802253
Molecular Formular: C5H3ClFNO2S
Molecular Mass: 195.5992232
Monoisotopic Mass: 194.95570524
SMILES and InChIs

SMILES:
n1c(cccc1F)S(=O)(=O)Cl
Canonical SMILES:
Fc1cccc(n1)S(=O)(=O)Cl
InChI:
InChI=1S/C5H3ClFNO2S/c6-11(9,10)5-3-1-2-4(7)8-5/h1-3H
InChIKey:
ZYYNYUDHGGZBOB-UHFFFAOYSA-N

Cite this record

CBID:802253 http://www.chembase.cn/molecule-802253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoropyridine-2-sulfonyl chloride
IUPAC Traditional name
6-fluoropyridine-2-sulfonyl chloride
Synonyms
6-FLUOROPYRIDINE-2-SULFONYL CHLORIDE
CAS Number
128583-07-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18682 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18682 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8329666  LogD (pH = 7.4) 1.8329666 
Log P 1.8329666  Molar Refractivity 39.6399 cm3
Polarizability 15.428945 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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