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1196155-59-5 molecular structure
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(6-chloropyridin-2-yl)methanesulfonyl chloride

ChemBase ID: 814277
Molecular Formular: C6H5Cl2NO2S
Molecular Mass: 226.0804
Monoisotopic Mass: 224.94180477
SMILES and InChIs

SMILES:
C(S(=O)(=O)Cl)c1nc(ccc1)Cl
Canonical SMILES:
Clc1cccc(n1)CS(=O)(=O)Cl
InChI:
InChI=1S/C6H5Cl2NO2S/c7-6-3-1-2-5(9-6)4-12(8,10)11/h1-3H,4H2
InChIKey:
OQLCUTQCMPCQSE-UHFFFAOYSA-N

Cite this record

CBID:814277 http://www.chembase.cn/molecule-814277.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-chloropyridin-2-yl)methanesulfonyl chloride
IUPAC Traditional name
(6-chloropyridin-2-yl)methanesulfonyl chloride
Synonyms
(6-chloropyridin-2-yl)methanesulfonyl chloride
CAS Number
1196155-59-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36436 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36436 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.044558  H Acceptors
H Donor LogD (pH = 5.5) 1.6740848 
LogD (pH = 7.4) 1.6740848  Log P 1.6740848 
Molar Refractivity 48.2742 cm3 Polarizability 19.443682 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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