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159182-40-8 molecular structure
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quinoline-3-sulfonyl chloride

ChemBase ID: 177297
Molecular Formular: C9H6ClNO2S
Molecular Mass: 227.66744
Monoisotopic Mass: 226.98077712
SMILES and InChIs

SMILES:
c1ccc2c(c1)ncc(c2)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1cnc2c(c1)cccc2
InChI:
InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKey:
VSAXLHSQUHPTCS-UHFFFAOYSA-N

Cite this record

CBID:177297 http://www.chembase.cn/molecule-177297.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-3-sulfonyl chloride
IUPAC Traditional name
quinoline-3-sulfonyl chloride
Synonyms
Quinoline-3-sulfonyl Chloride
CAS Number
159182-40-8
MDL Number
MFCD06739117
PubChem SID
164233207
PubChem CID
22674108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22674108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0772026  LogD (pH = 7.4) 2.0772035 
Log P 2.0772035  Molar Refractivity 54.1735 cm3
Polarizability 22.967844 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Apperance
Yellow Solid expand Show data source
Storage Condition
Hygroscopic, Store under Inert atmosphere -20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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