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885277-08-7 molecular structure
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5-chloropyridine-2-sulfonyl chloride

ChemBase ID: 811208
Molecular Formular: C5H3Cl2NO2S
Molecular Mass: 212.05382
Monoisotopic Mass: 210.9261547
SMILES and InChIs

SMILES:
n1c(ccc(c1)Cl)S(=O)(=O)Cl
Canonical SMILES:
Clc1ccc(nc1)S(=O)(=O)Cl
InChI:
InChI=1S/C5H3Cl2NO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
InChIKey:
ZPHYQPBAPHPVAL-UHFFFAOYSA-N

Cite this record

CBID:811208 http://www.chembase.cn/molecule-811208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyridine-2-sulfonyl chloride
IUPAC Traditional name
5-chloropyridine-2-sulfonyl chloride
Synonyms
5-CHLORO-PYRIDINE-2-SULFONYL CHLORIDE
CAS Number
885277-08-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30364 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30364 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) 1.9003786  LogD (pH = 7.4) 1.9003786 
Log P 1.9003786  Molar Refractivity 43.2136 cm3
Polarizability 17.576155 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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