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1060802-18-7 molecular structure
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5-chloropyridine-3-sulfonyl chloride

ChemBase ID: 277674
Molecular Formular: C5H3Cl2NO2S
Molecular Mass: 212.05382
Monoisotopic Mass: 210.9261547
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(Cl)cnc1)Cl
Canonical SMILES:
Clc1cncc(c1)S(=O)(=O)Cl
InChI:
InChI=1S/C5H3Cl2NO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
InChIKey:
FQNDXOOGXYFWHZ-UHFFFAOYSA-N

Cite this record

CBID:277674 http://www.chembase.cn/molecule-277674.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyridine-3-sulfonyl chloride
IUPAC Traditional name
5-chloropyridine-3-sulfonyl chloride
Synonyms
5-chloropyridine-3-sulfonyl chloride
CAS Number
1060802-18-7
MDL Number
MFCD13189042
PubChem SID
164333584
PubChem CID
54594705

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 54594705 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3059211  LogD (pH = 7.4) 1.3059211 
Log P 1.3059211  Molar Refractivity 42.9001 cm3
Polarizability 17.564713 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.53 expand Show data source
Purity
95% expand Show data source
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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