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1060802-50-7 molecular structure
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3-fluoropyridine-4-sulfonyl chloride

ChemBase ID: 815006
Molecular Formular: C5H3ClFNO2S
Molecular Mass: 195.5992232
Monoisotopic Mass: 194.95570524
SMILES and InChIs

SMILES:
n1cc(c(cc1)S(=O)(=O)Cl)F
Canonical SMILES:
Fc1cnccc1S(=O)(=O)Cl
InChI:
InChI=1S/C5H3ClFNO2S/c6-11(9,10)5-1-2-8-3-4(5)7/h1-3H
InChIKey:
JPSWDCLSCYOSMB-UHFFFAOYSA-N

Cite this record

CBID:815006 http://www.chembase.cn/molecule-815006.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoropyridine-4-sulfonyl chloride
IUPAC Traditional name
3-fluoropyridine-4-sulfonyl chloride
Synonyms
3-fluoropyridine-4-sulfonyl chloride
CAS Number
1060802-50-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37252 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37252 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) 0.8445782  LogD (pH = 7.4) 0.8445783 
Log P 0.8445783  Molar Refractivity 38.3117 cm3
Polarizability 15.421602 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

INTERNET

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